1-amino-N-[3-chloro-4-(1-phenylethylamino)phenyl]cyclopropane-1-carboxamide

C18H20ClN3O — CID 119743322

IUPAC1-amino-N-[3-chloro-4-(1-phenylethylamino)phenyl]cyclopropane-1-carboxamide
SMILESCC(Nc1ccc(NC(=O)C2(N)CC2)cc1Cl)c1ccccc1
InChIInChI=1S/C18H20ClN3O/c1-12(13-5-3-2-4-6-13)21-16-8-7-14(11-15(16)19)22-17(23)18(20)9-10-18/h2-8,11-12,21H,9-10,20H2,1H3,(H,22,23)
InChIKeyWIQNHRNZEJFMAC-UHFFFAOYSA-N
MW329.83 g/mol
LogP3.94
Rot. Bonds5

About 1-amino-N-[3-chloro-4-(1-phenylethylamino)phenyl]cyclopropane-1-carboxamide

1-amino-N-[3-chloro-4-(1-phenylethylamino)phenyl]cyclopropane-1-carboxamide (PubChem CID 119743322) has the molecular formula C18H20ClN3O and a molecular weight of 329.83 g/mol. Its IUPAC name is 1-amino-N-[3-chloro-4-(1-phenylethylamino)phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[3-chloro-4-(1-phenylethylamino)phenyl]cyclopropane-1-carboxamide
PubChem CID119743322
Molecular FormulaC18H20ClN3O
Molecular Weight329.83 g/mol
Exact Mass329.13
IUPAC Name1-amino-N-[3-chloro-4-(1-phenylethylamino)phenyl]cyclopropane-1-carboxamide
SMILESCC(Nc1ccc(NC(=O)C2(N)CC2)cc1Cl)c1ccccc1
InChIInChI=1S/C18H20ClN3O/c1-12(13-5-3-2-4-6-13)21-16-8-7-14(11-15(16)19)22-17(23)18(20)9-10-18/h2-8,11-12,21H,9-10,20H2,1H3,(H,22,23)
InChIKeyWIQNHRNZEJFMAC-UHFFFAOYSA-N
XLogP3.94
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.83
LogP ≤ 53.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-N-[3-chloro-4-(1-phenylethylamino)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119300292
1-[3-chloro-4-[[(1R)-1-phenylethyl]amino]phenyl]-3-pyridin-4-ylurea
CID 52501243
N-[3-chloro-4-(1-phenylethylamino)phenyl]-2-methyl-3-(methylamino)propanamide
CID 119743334
3-amino-N-[3-chloro-4-[[(1S)-1-phenylethyl]amino]phenyl]pyrazine-2-carboxamide
CID 52763720
N-(4-acetamido-3-chlorophenyl)-1-aminocyclohexane-1-carboxamide;hydrochloride
CID 119276950
3-chloro-4-(1-phenylethylamino)benzoic acid
CID 63088121
(2S)-2-amino-N-[3-chloro-4-(1-phenylethylamino)phenyl]-4-methylsulfanylbutanamide
CID 119300289
1-amino-N-(1-phenylethyl)cyclopropane-1-carboxamide
CID 65465678
N-(4-acetamido-3-chlorophenyl)-4-aminooxane-4-carboxamide
CID 115293893
5-[(1-aminocyclopropanecarbonyl)amino]-2-chlorobenzoic acid
CID 65464876
N-[3-chloro-4-(1-phenylethylamino)phenyl]piperidine-3-carboxamide
CID 119300297
2,4-dichloro-N-(1-phenylethyl)aniline
CID 43082155

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[3-chloro-4-(1-phenylethylamino)phenyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-amino-N-[3-chloro-4-(1-phenylethylamino)phenyl]cyclopropane-1-carboxamide (CID 119743322) is 1-amino-N-[3-chloro-4-(1-phenylethylamino)phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[3-chloro-4-(1-phenylethylamino)phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-amino-N-[3-chloro-4-(1-phenylethylamino)phenyl]cyclopropane-1-carboxamide is CC(Nc1ccc(NC(=O)C2(N)CC2)cc1Cl)c1ccccc1.
What is the InChIKey of 1-amino-N-[3-chloro-4-(1-phenylethylamino)phenyl]cyclopropane-1-carboxamide?
The InChIKey is WIQNHRNZEJFMAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O/c1-12(13-5-3-2-4-6-13)21-16-8-7-14(11-15(16)19)22-17(23)18(20)9-10-18/h2-8,11-12,21H,9-10,20H2,1H3,(H,22,23).
What are the key properties of 1-amino-N-[3-chloro-4-(1-phenylethylamino)phenyl]cyclopropane-1-carboxamide?
1-amino-N-[3-chloro-4-(1-phenylethylamino)phenyl]cyclopropane-1-carboxamide has a molecular weight of 329.83 g/mol, XLogP of 3.94, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[3-chloro-4-(1-phenylethylamino)phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 119743322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).