1-[(4-chlorophenyl)carbamoyl-methylamino]-N-[2-fluoro-4-(2-oxopiperidin-1-yl)phenyl]-2-(hydroxymethyl)cyclopropane-1-carboxamide

C24H26ClFN4O4 — CID 91468630

IUPAC1-[(4-chlorophenyl)carbamoyl-methylamino]-N-[2-fluoro-4-(2-oxopiperidin-1-yl)phenyl]-2-(hydroxymethyl)cyclopropane-1-carboxamide
SMILESCN(C(=O)Nc1ccc(Cl)cc1)C1(C(=O)Nc2ccc(N3CCCCC3=O)cc2F)CC1CO
InChIInChI=1S/C24H26ClFN4O4/c1-29(23(34)27-17-7-5-16(25)6-8-17)24(13-15(24)14-31)22(33)28-20-10-9-18(12-19(20)26)30-11-3-2-4-21(30)32/h5-10,12,15,31H,2-4,11,13-14H2,1H3,(H,27,34)(H,28,33)
InChIKeyVXZYCQCMOSSZOH-UHFFFAOYSA-N
MW488.95 g/mol
LogP3.85
Rot. Bonds6

About 1-[(4-chlorophenyl)carbamoyl-methylamino]-N-[2-fluoro-4-(2-oxopiperidin-1-yl)phenyl]-2-(hydroxymethyl)cyclopropane-1-carboxamide

1-[(4-chlorophenyl)carbamoyl-methylamino]-N-[2-fluoro-4-(2-oxopiperidin-1-yl)phenyl]-2-(hydroxymethyl)cyclopropane-1-carboxamide (PubChem CID 91468630) has the molecular formula C24H26ClFN4O4 and a molecular weight of 488.95 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)carbamoyl-methylamino]-N-[2-fluoro-4-(2-oxopiperidin-1-yl)phenyl]-2-(hydroxymethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-[(4-chlorophenyl)carbamoyl-methylamino]-N-[2-fluoro-4-(2-oxopiperidin-1-yl)phenyl]-2-(hydroxymethyl)cyclopropane-1-carboxamide
PubChem CID91468630
Molecular FormulaC24H26ClFN4O4
Molecular Weight488.95 g/mol
Exact Mass488.16
IUPAC Name1-[(4-chlorophenyl)carbamoyl-methylamino]-N-[2-fluoro-4-(2-oxopiperidin-1-yl)phenyl]-2-(hydroxymethyl)cyclopropane-1-carboxamide
SMILESCN(C(=O)Nc1ccc(Cl)cc1)C1(C(=O)Nc2ccc(N3CCCCC3=O)cc2F)CC1CO
InChIInChI=1S/C24H26ClFN4O4/c1-29(23(34)27-17-7-5-16(25)6-8-17)24(13-15(24)14-31)22(33)28-20-10-9-18(12-19(20)26)30-11-3-2-4-21(30)32/h5-10,12,15,31H,2-4,11,13-14H2,1H3,(H,27,34)(H,28,33)
InChIKeyVXZYCQCMOSSZOH-UHFFFAOYSA-N
XLogP3.85
TPSA101.98 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.95
LogP ≤ 53.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[(4-chlorophenyl)carbamoyl-methylamino]-N-[2-fluoro-4-(2-oxopiperidin-1-yl)phenyl]-2-(hydroxymethyl)cyclopropane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(4-chlorophenyl)carbamoylamino]-N-[2-fluoro-4-(2-oxopiperidin-1-yl)phenyl]-2-(methoxymethyl)cyclopropane-1-carboxamide
CID 91607894
2-[1-[(4-chlorophenyl)carbamoyl]-2-[[2-fluoro-4-(2-oxopiperidin-1-yl)phenyl]carbamoyl]-4-methoxypyrrolidin-2-yl]acetic acid
CID 68805974
ethyl 1-[(4-chlorophenyl)carbamoyl]-5-[[2-fluoro-4-(2-oxopiperidin-1-yl)phenyl]carbamoyl]pyrrolidine-3-carboxylate
CID 68812787
1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide
CID 21026057
N-(4-chlorophenyl)-4-(2-oxopiperidin-1-yl)benzamide
CID 36678322
1-[(3-chlorophenyl)methyl]-1-methyl-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea
CID 55696103
2-(4-chloro-2-fluorophenyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 56921121
1-(4-chlorophenyl)piperidin-2-one
CID 53422142
2-N-(4-chlorophenyl)-1-N-[2-fluoro-4-(3-oxomorpholin-4-yl)phenyl]pyrazolidine-1,2-dicarboxamide
CID 11453998
(2R,4S)-2-N-[2-fluoro-4-(2-oxopiperidin-1-yl)phenyl]-1-N-(4-methylphenyl)-4-(2H-tetrazol-5-yl)pyrrolidine-1,2-dicarboxamide
CID 67592657
3-chloro-N-[4-(2-oxopiperidin-1-yl)phenyl]benzamide
CID 7687271
1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(3-oxomorpholin-4-yl)phenyl]pyrrolidine-1,2-dicarboxamide
CID 11202026

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)carbamoyl-methylamino]-N-[2-fluoro-4-(2-oxopiperidin-1-yl)phenyl]-2-(hydroxymethyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-[(4-chlorophenyl)carbamoyl-methylamino]-N-[2-fluoro-4-(2-oxopiperidin-1-yl)phenyl]-2-(hydroxymethyl)cyclopropane-1-carboxamide (CID 91468630) is 1-[(4-chlorophenyl)carbamoyl-methylamino]-N-[2-fluoro-4-(2-oxopiperidin-1-yl)phenyl]-2-(hydroxymethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-[(4-chlorophenyl)carbamoyl-methylamino]-N-[2-fluoro-4-(2-oxopiperidin-1-yl)phenyl]-2-(hydroxymethyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-[(4-chlorophenyl)carbamoyl-methylamino]-N-[2-fluoro-4-(2-oxopiperidin-1-yl)phenyl]-2-(hydroxymethyl)cyclopropane-1-carboxamide is CN(C(=O)Nc1ccc(Cl)cc1)C1(C(=O)Nc2ccc(N3CCCCC3=O)cc2F)CC1CO.
What is the InChIKey of 1-[(4-chlorophenyl)carbamoyl-methylamino]-N-[2-fluoro-4-(2-oxopiperidin-1-yl)phenyl]-2-(hydroxymethyl)cyclopropane-1-carboxamide?
The InChIKey is VXZYCQCMOSSZOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClFN4O4/c1-29(23(34)27-17-7-5-16(25)6-8-17)24(13-15(24)14-31)22(33)28-20-10-9-18(12-19(20)26)30-11-3-2-4-21(30)32/h5-10,12,15,31H,2-4,11,13-14H2,1H3,(H,27,34)(H,28,33).
What are the key properties of 1-[(4-chlorophenyl)carbamoyl-methylamino]-N-[2-fluoro-4-(2-oxopiperidin-1-yl)phenyl]-2-(hydroxymethyl)cyclopropane-1-carboxamide?
1-[(4-chlorophenyl)carbamoyl-methylamino]-N-[2-fluoro-4-(2-oxopiperidin-1-yl)phenyl]-2-(hydroxymethyl)cyclopropane-1-carboxamide has a molecular weight of 488.95 g/mol, XLogP of 3.85, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)carbamoyl-methylamino]-N-[2-fluoro-4-(2-oxopiperidin-1-yl)phenyl]-2-(hydroxymethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 91468630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).