N-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide

C21H22ClFN2O2 — CID 110609639

IUPACN-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide
SMILESO=C(Nc1ccc(CN2CCOCC2)c(Cl)c1)C1(c2ccccc2F)CC1
InChIInChI=1S/C21H22ClFN2O2/c22-18-13-16(6-5-15(18)14-25-9-11-27-12-10-25)24-20(26)21(7-8-21)17-3-1-2-4-19(17)23/h1-6,13H,7-12,14H2,(H,24,26)
InChIKeyLVULDYPPZRYIDG-UHFFFAOYSA-N
MW388.87 g/mol
LogP3.98
Rot. Bonds5

About N-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide

N-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide (PubChem CID 110609639) has the molecular formula C21H22ClFN2O2 and a molecular weight of 388.87 g/mol. Its IUPAC name is N-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide
PubChem CID110609639
Molecular FormulaC21H22ClFN2O2
Molecular Weight388.87 g/mol
Exact Mass388.14
IUPAC NameN-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide
SMILESO=C(Nc1ccc(CN2CCOCC2)c(Cl)c1)C1(c2ccccc2F)CC1
InChIInChI=1S/C21H22ClFN2O2/c22-18-13-16(6-5-15(18)14-25-9-11-27-12-10-25)24-20(26)21(7-8-21)17-3-1-2-4-19(17)23/h1-6,13H,7-12,14H2,(H,24,26)
InChIKeyLVULDYPPZRYIDG-UHFFFAOYSA-N
XLogP3.98
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.87
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-1-(2-fluorophenyl)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

N-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-3,3,3-trifluoropropanamide
CID 75520574
N-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-2-phenoxyacetamide
CID 110416980
1-(2-fluorophenyl)-N-(2-morpholin-4-ylethyl)cyclopropane-1-carboxamide
CID 110408174
N-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-2-ethoxyacetamide
CID 84600438
2-[2-fluoro-4-[[1-(2-fluorophenyl)cyclopentanecarbonyl]amino]phenyl]acetic acid
CID 122110125
N-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-3-methylsulfonylpropanamide
CID 110609625
1-(4-chlorophenyl)-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 27869101
N-(4-chlorophenyl)-1-(2-fluorophenyl)cyclobutane-1-carboxamide
CID 110438567
1-(2-fluorophenyl)-N-(4-pyrrolidin-1-ylphenyl)cyclopropane-1-carboxamide
CID 110424930
N-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-2-[methyl(propan-2-yl)amino]acetamide
CID 86788739
N-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-5-methylpyrazine-2-carboxamide
CID 75520570
N-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]acenaphthylene-1-carboxamide
CID 143323712

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide?
The IUPAC name of N-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide (CID 110609639) is N-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide is O=C(Nc1ccc(CN2CCOCC2)c(Cl)c1)C1(c2ccccc2F)CC1.
What is the InChIKey of N-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide?
The InChIKey is LVULDYPPZRYIDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClFN2O2/c22-18-13-16(6-5-15(18)14-25-9-11-27-12-10-25)24-20(26)21(7-8-21)17-3-1-2-4-19(17)23/h1-6,13H,7-12,14H2,(H,24,26).
What are the key properties of N-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide?
N-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide has a molecular weight of 388.87 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 110609639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).