4-amino-N-[2-(3-chlorophenyl)propan-2-yl]pentanamide

C14H21ClN2O — CID 120563069

IUPAC4-amino-N-[2-(3-chlorophenyl)propan-2-yl]pentanamide
SMILESCC(N)CCC(=O)NC(C)(C)c1cccc(Cl)c1
InChIInChI=1S/C14H21ClN2O/c1-10(16)7-8-13(18)17-14(2,3)11-5-4-6-12(15)9-11/h4-6,9-10H,7-8,16H2,1-3H3,(H,17,18)
InChIKeyNJHPWMZLDGFUSA-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.82
Rot. Bonds5

About 4-amino-N-[2-(3-chlorophenyl)propan-2-yl]pentanamide

4-amino-N-[2-(3-chlorophenyl)propan-2-yl]pentanamide (PubChem CID 120563069) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is 4-amino-N-[2-(3-chlorophenyl)propan-2-yl]pentanamide.

Molecular Properties

Compound Name4-amino-N-[2-(3-chlorophenyl)propan-2-yl]pentanamide
PubChem CID120563069
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name4-amino-N-[2-(3-chlorophenyl)propan-2-yl]pentanamide
SMILESCC(N)CCC(=O)NC(C)(C)c1cccc(Cl)c1
InChIInChI=1S/C14H21ClN2O/c1-10(16)7-8-13(18)17-14(2,3)11-5-4-6-12(15)9-11/h4-6,9-10H,7-8,16H2,1-3H3,(H,17,18)
InChIKeyNJHPWMZLDGFUSA-UHFFFAOYSA-N
XLogP2.82
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N-[1-amino-2-(3-chlorophenyl)-1-oxopropan-2-yl]pentanamide
CID 120563651
2-amino-N-[2-(3-chlorophenyl)propan-2-yl]pentanamide
CID 119330329
3-amino-N-[2-(3-chlorophenyl)propan-2-yl]-3-phenylpropanamide;hydrochloride
CID 119951812
N-[3-[2-(3-chlorophenyl)propan-2-ylamino]-3-oxopropyl]pyridine-4-carboxamide
CID 75372727
4-amino-N-[1-(3-chlorophenyl)ethyl]pentanamide;hydrochloride
CID 120559119
2-(3-chlorophenyl)-N-(2-phenylpropan-2-yl)acetamide
CID 13118326
4-amino-N-[(3-chlorophenyl)-phenylmethyl]pentanamide
CID 120560763
(Z)-2-amino-N-[2-(3-chlorophenyl)propan-2-yl]-3-sulfanylbut-2-enamide;1-(3-chlorophenyl)-2-methylpropan-1-one
CID 155717382
5-amino-N-(3-chlorophenyl)hexanamide
CID 82849187
ethyl 2-(3-chlorophenyl)-2,3-dimethylbutanoate
CID 117047944
1-(4-chlorophenyl)-3-[2-(3-chlorophenyl)propan-2-yl]urea
CID 110446838
1-[2-(3-chlorophenyl)propan-2-yl]-3-prop-2-enylurea
CID 110490627

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(3-chlorophenyl)propan-2-yl]pentanamide?
The IUPAC name of 4-amino-N-[2-(3-chlorophenyl)propan-2-yl]pentanamide (CID 120563069) is 4-amino-N-[2-(3-chlorophenyl)propan-2-yl]pentanamide.
What is the SMILES notation for 4-amino-N-[2-(3-chlorophenyl)propan-2-yl]pentanamide?
The canonical SMILES for 4-amino-N-[2-(3-chlorophenyl)propan-2-yl]pentanamide is CC(N)CCC(=O)NC(C)(C)c1cccc(Cl)c1.
What is the InChIKey of 4-amino-N-[2-(3-chlorophenyl)propan-2-yl]pentanamide?
The InChIKey is NJHPWMZLDGFUSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-10(16)7-8-13(18)17-14(2,3)11-5-4-6-12(15)9-11/h4-6,9-10H,7-8,16H2,1-3H3,(H,17,18).
What are the key properties of 4-amino-N-[2-(3-chlorophenyl)propan-2-yl]pentanamide?
4-amino-N-[2-(3-chlorophenyl)propan-2-yl]pentanamide has a molecular weight of 268.79 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(3-chlorophenyl)propan-2-yl]pentanamide is sourced from PubChem (CID 120563069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).