1-(aminomethyl)-N-(4-chloro-2-fluorophenyl)cyclopropane-1-carboxamide

C11H12ClFN2O — CID 115452488

IUPAC1-(aminomethyl)-N-(4-chloro-2-fluorophenyl)cyclopropane-1-carboxamide
SMILESNCC1(C(=O)Nc2ccc(Cl)cc2F)CC1
InChIInChI=1S/C11H12ClFN2O/c12-7-1-2-9(8(13)5-7)15-10(16)11(6-14)3-4-11/h1-2,5H,3-4,6,14H2,(H,15,16)
InChIKeyZVFBWLZULLBGKR-UHFFFAOYSA-N
MW242.68 g/mol
LogP2.16
Rot. Bonds3

About 1-(aminomethyl)-N-(4-chloro-2-fluorophenyl)cyclopropane-1-carboxamide

1-(aminomethyl)-N-(4-chloro-2-fluorophenyl)cyclopropane-1-carboxamide (PubChem CID 115452488) has the molecular formula C11H12ClFN2O and a molecular weight of 242.68 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(4-chloro-2-fluorophenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-(4-chloro-2-fluorophenyl)cyclopropane-1-carboxamide
PubChem CID115452488
Molecular FormulaC11H12ClFN2O
Molecular Weight242.68 g/mol
Exact Mass242.06
IUPAC Name1-(aminomethyl)-N-(4-chloro-2-fluorophenyl)cyclopropane-1-carboxamide
SMILESNCC1(C(=O)Nc2ccc(Cl)cc2F)CC1
InChIInChI=1S/C11H12ClFN2O/c12-7-1-2-9(8(13)5-7)15-10(16)11(6-14)3-4-11/h1-2,5H,3-4,6,14H2,(H,15,16)
InChIKeyZVFBWLZULLBGKR-UHFFFAOYSA-N
XLogP2.16
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.68
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(aminomethyl)-N-(4-chloro-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

1-(aminomethyl)-N-(2,4-difluorophenyl)cyclobutane-1-carboxamide
CID 80586877
1-(aminomethyl)-N-(2,5-dichlorophenyl)cycloheptane-1-carboxamide
CID 115443708
1-[(4-chloro-2-fluorophenyl)carbamoyl]cyclopropane-1-carbonyl chloride
CID 87344821
1-(aminomethyl)-N-(2-chloro-4-fluorophenyl)cyclohexane-1-carboxamide
CID 115437214
2-[[1-(aminomethyl)cyclopropanecarbonyl]amino]-5-fluorobenzoic acid
CID 113312903
N-(4-chloro-2-fluorophenyl)-4-methylpiperidine-4-carboxamide
CID 63121680
4-(aminomethyl)-N-(4-chloro-2-iodophenyl)oxane-4-carboxamide
CID 107625438
1-carbamothioyl-N-(4-chloro-2-fluorophenyl)cyclobutane-1-carboxamide
CID 80589467
2-[[4-(aminomethyl)oxane-4-carbonyl]amino]-5-chlorobenzoic acid
CID 115439336
1-(aminomethyl)-N-(4-chloro-2-nitrophenyl)cyclopentane-1-carboxamide
CID 115434825
N-(4-chloro-2-fluorophenyl)-1-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 134002638
1-(aminomethyl)-N-(2-cyano-4-fluorophenyl)cyclopropane-1-carboxamide
CID 82016106

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(4-chloro-2-fluorophenyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-(4-chloro-2-fluorophenyl)cyclopropane-1-carboxamide (CID 115452488) is 1-(aminomethyl)-N-(4-chloro-2-fluorophenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-(4-chloro-2-fluorophenyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-(4-chloro-2-fluorophenyl)cyclopropane-1-carboxamide is NCC1(C(=O)Nc2ccc(Cl)cc2F)CC1.
What is the InChIKey of 1-(aminomethyl)-N-(4-chloro-2-fluorophenyl)cyclopropane-1-carboxamide?
The InChIKey is ZVFBWLZULLBGKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClFN2O/c12-7-1-2-9(8(13)5-7)15-10(16)11(6-14)3-4-11/h1-2,5H,3-4,6,14H2,(H,15,16).
What are the key properties of 1-(aminomethyl)-N-(4-chloro-2-fluorophenyl)cyclopropane-1-carboxamide?
1-(aminomethyl)-N-(4-chloro-2-fluorophenyl)cyclopropane-1-carboxamide has a molecular weight of 242.68 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(4-chloro-2-fluorophenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 115452488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).