1-[(4-chlorophenyl)carbamoylamino]-N-[2-fluoro-4-(2-oxopiperidin-1-yl)phenyl]-2-(methoxymethyl)cyclopropane-1-carboxamide

C24H26ClFN4O4 — CID 91607894

IUPAC1-[(4-chlorophenyl)carbamoylamino]-N-[2-fluoro-4-(2-oxopiperidin-1-yl)phenyl]-2-(methoxymethyl)cyclopropane-1-carboxamide
SMILESCOCC1CC1(NC(=O)Nc1ccc(Cl)cc1)C(=O)Nc1ccc(N2CCCCC2=O)cc1F
InChIInChI=1S/C24H26ClFN4O4/c1-34-14-15-13-24(15,29-23(33)27-17-7-5-16(25)6-8-17)22(32)28-20-10-9-18(12-19(20)26)30-11-3-2-4-21(30)31/h5-10,12,15H,2-4,11,13-14H2,1H3,(H,28,32)(H2,27,29,33)
InChIKeyFBRBEGUJUILBRQ-UHFFFAOYSA-N
MW488.95 g/mol
LogP4.16
Rot. Bonds7

About 1-[(4-chlorophenyl)carbamoylamino]-N-[2-fluoro-4-(2-oxopiperidin-1-yl)phenyl]-2-(methoxymethyl)cyclopropane-1-carboxamide

1-[(4-chlorophenyl)carbamoylamino]-N-[2-fluoro-4-(2-oxopiperidin-1-yl)phenyl]-2-(methoxymethyl)cyclopropane-1-carboxamide (PubChem CID 91607894) has the molecular formula C24H26ClFN4O4 and a molecular weight of 488.95 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)carbamoylamino]-N-[2-fluoro-4-(2-oxopiperidin-1-yl)phenyl]-2-(methoxymethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-[(4-chlorophenyl)carbamoylamino]-N-[2-fluoro-4-(2-oxopiperidin-1-yl)phenyl]-2-(methoxymethyl)cyclopropane-1-carboxamide
PubChem CID91607894
Molecular FormulaC24H26ClFN4O4
Molecular Weight488.95 g/mol
Exact Mass488.16
IUPAC Name1-[(4-chlorophenyl)carbamoylamino]-N-[2-fluoro-4-(2-oxopiperidin-1-yl)phenyl]-2-(methoxymethyl)cyclopropane-1-carboxamide
SMILESCOCC1CC1(NC(=O)Nc1ccc(Cl)cc1)C(=O)Nc1ccc(N2CCCCC2=O)cc1F
InChIInChI=1S/C24H26ClFN4O4/c1-34-14-15-13-24(15,29-23(33)27-17-7-5-16(25)6-8-17)22(32)28-20-10-9-18(12-19(20)26)30-11-3-2-4-21(30)31/h5-10,12,15H,2-4,11,13-14H2,1H3,(H,28,32)(H2,27,29,33)
InChIKeyFBRBEGUJUILBRQ-UHFFFAOYSA-N
XLogP4.16
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.95
LogP ≤ 54.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-chlorophenyl)carbamoyl-methylamino]-N-[2-fluoro-4-(2-oxopiperidin-1-yl)phenyl]-2-(hydroxymethyl)cyclopropane-1-carboxamide
CID 91468630
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
1-(4-chlorophenyl)-3-[3-(2-oxopyrrolidin-1-yl)phenyl]urea
CID 7686904
1-[(4-fluoro-3-methylphenyl)methyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea
CID 47032927
N-(4-chlorophenyl)-4-(2-oxopiperidin-1-yl)benzamide
CID 36678322
1-N-(5-chloro-2-pyridinyl)-2-N-[2-fluoro-4-(2-oxopiperidin-1-yl)phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide
CID 21026109
2-N-(4-chlorophenyl)-1-N-[2-fluoro-4-(3-oxomorpholin-4-yl)phenyl]pyrazolidine-1,2-dicarboxamide
CID 11453998
2-(4-chloro-2-fluorophenyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 56921121
1-(4-chlorophenyl)piperidin-2-one
CID 53422142
1-(3-fluoro-4-methoxyphenyl)piperidin-2-one
CID 142754617

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)carbamoylamino]-N-[2-fluoro-4-(2-oxopiperidin-1-yl)phenyl]-2-(methoxymethyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-[(4-chlorophenyl)carbamoylamino]-N-[2-fluoro-4-(2-oxopiperidin-1-yl)phenyl]-2-(methoxymethyl)cyclopropane-1-carboxamide (CID 91607894) is 1-[(4-chlorophenyl)carbamoylamino]-N-[2-fluoro-4-(2-oxopiperidin-1-yl)phenyl]-2-(methoxymethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-[(4-chlorophenyl)carbamoylamino]-N-[2-fluoro-4-(2-oxopiperidin-1-yl)phenyl]-2-(methoxymethyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-[(4-chlorophenyl)carbamoylamino]-N-[2-fluoro-4-(2-oxopiperidin-1-yl)phenyl]-2-(methoxymethyl)cyclopropane-1-carboxamide is COCC1CC1(NC(=O)Nc1ccc(Cl)cc1)C(=O)Nc1ccc(N2CCCCC2=O)cc1F.
What is the InChIKey of 1-[(4-chlorophenyl)carbamoylamino]-N-[2-fluoro-4-(2-oxopiperidin-1-yl)phenyl]-2-(methoxymethyl)cyclopropane-1-carboxamide?
The InChIKey is FBRBEGUJUILBRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClFN4O4/c1-34-14-15-13-24(15,29-23(33)27-17-7-5-16(25)6-8-17)22(32)28-20-10-9-18(12-19(20)26)30-11-3-2-4-21(30)31/h5-10,12,15H,2-4,11,13-14H2,1H3,(H,28,32)(H2,27,29,33).
What are the key properties of 1-[(4-chlorophenyl)carbamoylamino]-N-[2-fluoro-4-(2-oxopiperidin-1-yl)phenyl]-2-(methoxymethyl)cyclopropane-1-carboxamide?
1-[(4-chlorophenyl)carbamoylamino]-N-[2-fluoro-4-(2-oxopiperidin-1-yl)phenyl]-2-(methoxymethyl)cyclopropane-1-carboxamide has a molecular weight of 488.95 g/mol, XLogP of 4.16, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)carbamoylamino]-N-[2-fluoro-4-(2-oxopiperidin-1-yl)phenyl]-2-(methoxymethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 91607894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).