3-amino-N-[[1-(2-bromophenyl)cyclopropyl]methyl]cyclopentane-1-carboxamide

C16H21BrN2O — CID 119800146

IUPAC3-amino-N-[[1-(2-bromophenyl)cyclopropyl]methyl]cyclopentane-1-carboxamide
SMILESNC1CCC(C(=O)NCC2(c3ccccc3Br)CC2)C1
InChIInChI=1S/C16H21BrN2O/c17-14-4-2-1-3-13(14)16(7-8-16)10-19-15(20)11-5-6-12(18)9-11/h1-4,11-12H,5-10,18H2,(H,19,20)
InChIKeyHFXHXQZZQPGAND-UHFFFAOYSA-N
MW337.26 g/mol
LogP2.72
Rot. Bonds4

About 3-amino-N-[[1-(2-bromophenyl)cyclopropyl]methyl]cyclopentane-1-carboxamide

3-amino-N-[[1-(2-bromophenyl)cyclopropyl]methyl]cyclopentane-1-carboxamide (PubChem CID 119800146) has the molecular formula C16H21BrN2O and a molecular weight of 337.26 g/mol. Its IUPAC name is 3-amino-N-[[1-(2-bromophenyl)cyclopropyl]methyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[[1-(2-bromophenyl)cyclopropyl]methyl]cyclopentane-1-carboxamide
PubChem CID119800146
Molecular FormulaC16H21BrN2O
Molecular Weight337.26 g/mol
Exact Mass336.08
IUPAC Name3-amino-N-[[1-(2-bromophenyl)cyclopropyl]methyl]cyclopentane-1-carboxamide
SMILESNC1CCC(C(=O)NCC2(c3ccccc3Br)CC2)C1
InChIInChI=1S/C16H21BrN2O/c17-14-4-2-1-3-13(14)16(7-8-16)10-19-15(20)11-5-6-12(18)9-11/h1-4,11-12H,5-10,18H2,(H,19,20)
InChIKeyHFXHXQZZQPGAND-UHFFFAOYSA-N
XLogP2.72
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.26
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-amino-N-[[1-(2-bromophenyl)cyclopropyl]methyl]cyclopentane-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

(2S,4S)-N-[[1-(2-bromophenyl)cyclopropyl]methyl]-2-methylpiperidine-4-carboxamide
CID 120635447
3-amino-N-[(1-phenylcyclopentyl)methyl]cyclopentane-1-carboxamide
CID 119698154
3-amino-N-[(4-phenyloxan-4-yl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119731085
3-amino-N-[[1-(2,6-difluorophenyl)cyclopentyl]methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119765192
N-[[1-(2-bromophenyl)cyclopropyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119333019
3-amino-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]cyclohexane-1-carboxamide
CID 119749802
3-amino-N-[[1-(3-bromophenyl)cyclopropyl]methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119786274
3-amino-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119749801
3-amino-N-[(1-cyclopropylcyclopropyl)methyl]cyclopentane-1-carboxamide
CID 104872742
1-[[1-(2-bromophenyl)cyclopropyl]methyl]-3-(2-hydroxyethyl)urea
CID 111458940
3-amino-N-[2-(2-bromophenoxy)propyl]cyclopentane-1-carboxamide;hydrochloride
CID 119804683
3-amino-N-[(4-bromophenyl)methyl]cyclopentane-1-carboxamide
CID 66030877

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[1-(2-bromophenyl)cyclopropyl]methyl]cyclopentane-1-carboxamide?
The IUPAC name of 3-amino-N-[[1-(2-bromophenyl)cyclopropyl]methyl]cyclopentane-1-carboxamide (CID 119800146) is 3-amino-N-[[1-(2-bromophenyl)cyclopropyl]methyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[[1-(2-bromophenyl)cyclopropyl]methyl]cyclopentane-1-carboxamide?
The canonical SMILES for 3-amino-N-[[1-(2-bromophenyl)cyclopropyl]methyl]cyclopentane-1-carboxamide is NC1CCC(C(=O)NCC2(c3ccccc3Br)CC2)C1.
What is the InChIKey of 3-amino-N-[[1-(2-bromophenyl)cyclopropyl]methyl]cyclopentane-1-carboxamide?
The InChIKey is HFXHXQZZQPGAND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrN2O/c17-14-4-2-1-3-13(14)16(7-8-16)10-19-15(20)11-5-6-12(18)9-11/h1-4,11-12H,5-10,18H2,(H,19,20).
What are the key properties of 3-amino-N-[[1-(2-bromophenyl)cyclopropyl]methyl]cyclopentane-1-carboxamide?
3-amino-N-[[1-(2-bromophenyl)cyclopropyl]methyl]cyclopentane-1-carboxamide has a molecular weight of 337.26 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[1-(2-bromophenyl)cyclopropyl]methyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 119800146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).