N-(1-amino-2,4-dimethylpentan-2-yl)-2-(3-chlorophenyl)cyclopropane-1-carboxamide

C17H25ClN2O — CID 119598536

IUPACN-(1-amino-2,4-dimethylpentan-2-yl)-2-(3-chlorophenyl)cyclopropane-1-carboxamide
SMILESCC(C)CC(C)(CN)NC(=O)C1CC1c1cccc(Cl)c1
InChIInChI=1S/C17H25ClN2O/c1-11(2)9-17(3,10-19)20-16(21)15-8-14(15)12-5-4-6-13(18)7-12/h4-7,11,14-15H,8-10,19H2,1-3H3,(H,20,21)
InChIKeyJIYNDHXUMIYLTG-UHFFFAOYSA-N
MW308.85 g/mol
LogP3.32
Rot. Bonds6

About N-(1-amino-2,4-dimethylpentan-2-yl)-2-(3-chlorophenyl)cyclopropane-1-carboxamide

N-(1-amino-2,4-dimethylpentan-2-yl)-2-(3-chlorophenyl)cyclopropane-1-carboxamide (PubChem CID 119598536) has the molecular formula C17H25ClN2O and a molecular weight of 308.85 g/mol. Its IUPAC name is N-(1-amino-2,4-dimethylpentan-2-yl)-2-(3-chlorophenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(1-amino-2,4-dimethylpentan-2-yl)-2-(3-chlorophenyl)cyclopropane-1-carboxamide
PubChem CID119598536
Molecular FormulaC17H25ClN2O
Molecular Weight308.85 g/mol
Exact Mass308.17
IUPAC NameN-(1-amino-2,4-dimethylpentan-2-yl)-2-(3-chlorophenyl)cyclopropane-1-carboxamide
SMILESCC(C)CC(C)(CN)NC(=O)C1CC1c1cccc(Cl)c1
InChIInChI=1S/C17H25ClN2O/c1-11(2)9-17(3,10-19)20-16(21)15-8-14(15)12-5-4-6-13(18)7-12/h4-7,11,14-15H,8-10,19H2,1-3H3,(H,20,21)
InChIKeyJIYNDHXUMIYLTG-UHFFFAOYSA-N
XLogP3.32
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.85
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[2-(3-chlorophenyl)cyclopropanecarbonyl]amino]-4-methylpentanoic acid
CID 119188628
trans-(1S,2S)-2-(3-chlorophenyl)cyclopropane-1-carboxamide
CID 131139995
2-(3-chlorophenyl)-N-[2-(methylamino)propyl]cyclopropane-1-carboxamide;hydrochloride
CID 120829453
N-(1-amino-2,4-dimethylpentan-2-yl)-2,3-dihydro-1H-indene-2-carboxamide
CID 106893424
N-(1-amino-2,3-dimethylbutan-2-yl)-2-naphthalen-2-ylcyclopropane-1-carboxamide;hydrochloride
CID 119607624
N-(1-amino-2-methylpropan-2-yl)-2-(3-bromophenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119524603
2-(3-chlorophenyl)-N-[1-(ethylamino)-1-oxopropan-2-yl]cyclopropane-1-carboxamide
CID 49157849
2-(3-chlorophenyl)-N-[2-(methylamino)ethyl]cyclopropane-1-carboxamide
CID 119501592
1-[(1S,2R)-2-(3-chlorophenyl)cyclopropyl]ethanone
CID 39239299
N-(1-amino-2-methylpropan-2-yl)-2-(3,4-dichlorophenyl)cyclopropane-1-carboxamide
CID 119522635
2-(3-chlorophenyl)cyclopropane-1-carboxylic acid
CID 23423018
trans-(1R,2R)-2-(3-chlorophenyl)-N-[(2S,3S)-4-hydroxy-3-methylsulfanylbutan-2-yl]cyclopropane-1-carboxamide
CID 124778353

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-2-(3-chlorophenyl)cyclopropane-1-carboxamide?
The IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-2-(3-chlorophenyl)cyclopropane-1-carboxamide (CID 119598536) is N-(1-amino-2,4-dimethylpentan-2-yl)-2-(3-chlorophenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-(1-amino-2,4-dimethylpentan-2-yl)-2-(3-chlorophenyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-(1-amino-2,4-dimethylpentan-2-yl)-2-(3-chlorophenyl)cyclopropane-1-carboxamide is CC(C)CC(C)(CN)NC(=O)C1CC1c1cccc(Cl)c1.
What is the InChIKey of N-(1-amino-2,4-dimethylpentan-2-yl)-2-(3-chlorophenyl)cyclopropane-1-carboxamide?
The InChIKey is JIYNDHXUMIYLTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O/c1-11(2)9-17(3,10-19)20-16(21)15-8-14(15)12-5-4-6-13(18)7-12/h4-7,11,14-15H,8-10,19H2,1-3H3,(H,20,21).
What are the key properties of N-(1-amino-2,4-dimethylpentan-2-yl)-2-(3-chlorophenyl)cyclopropane-1-carboxamide?
N-(1-amino-2,4-dimethylpentan-2-yl)-2-(3-chlorophenyl)cyclopropane-1-carboxamide has a molecular weight of 308.85 g/mol, XLogP of 3.32, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,4-dimethylpentan-2-yl)-2-(3-chlorophenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 119598536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).