2-[(5-amino-2-methylpentanoyl)amino]-4-chloro-N,N-dimethylbenzamide

C15H22ClN3O2 — CID 104683758

IUPAC2-[(5-amino-2-methylpentanoyl)amino]-4-chloro-N,N-dimethylbenzamide
SMILESCC(CCCN)C(=O)Nc1cc(Cl)ccc1C(=O)N(C)C
InChIInChI=1S/C15H22ClN3O2/c1-10(5-4-8-17)14(20)18-13-9-11(16)6-7-12(13)15(21)19(2)3/h6-7,9-10H,4-5,8,17H2,1-3H3,(H,18,20)
InChIKeySHXAFFNSRIFXQU-UHFFFAOYSA-N
MW311.81 g/mol
LogP2.36
Rot. Bonds6

About 2-[(5-amino-2-methylpentanoyl)amino]-4-chloro-N,N-dimethylbenzamide

2-[(5-amino-2-methylpentanoyl)amino]-4-chloro-N,N-dimethylbenzamide (PubChem CID 104683758) has the molecular formula C15H22ClN3O2 and a molecular weight of 311.81 g/mol. Its IUPAC name is 2-[(5-amino-2-methylpentanoyl)amino]-4-chloro-N,N-dimethylbenzamide.

Molecular Properties

Compound Name2-[(5-amino-2-methylpentanoyl)amino]-4-chloro-N,N-dimethylbenzamide
PubChem CID104683758
Molecular FormulaC15H22ClN3O2
Molecular Weight311.81 g/mol
Exact Mass311.14
IUPAC Name2-[(5-amino-2-methylpentanoyl)amino]-4-chloro-N,N-dimethylbenzamide
SMILESCC(CCCN)C(=O)Nc1cc(Cl)ccc1C(=O)N(C)C
InChIInChI=1S/C15H22ClN3O2/c1-10(5-4-8-17)14(20)18-13-9-11(16)6-7-12(13)15(21)19(2)3/h6-7,9-10H,4-5,8,17H2,1-3H3,(H,18,20)
InChIKeySHXAFFNSRIFXQU-UHFFFAOYSA-N
XLogP2.36
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(5-amino-2-methylpentanoyl)amino]-4-chloro-N,N-dimethylbenzamide
CID 104683767
2-(2-bromopropanoylamino)-4-chloro-N,N-dimethylbenzamide
CID 114014319
5-amino-N-(2-bromo-4-chlorophenyl)-2-methylpentanamide
CID 113441065
4-chloro-N,N-dimethyl-2-(octan-2-ylamino)benzamide
CID 43737653
4-chloro-N,N-dimethyl-2-[[2-(propan-2-ylamino)acetyl]amino]benzamide
CID 60843063
4-chloro-2-[(2-chloroacetyl)amino]-N,N-dimethylbenzamide
CID 43695965
6-amino-N-(5-chloro-2-fluorophenyl)-2-methylheptanamide
CID 65292812
methyl 2-[5-chloro-2-(dimethylcarbamoyl)anilino]propanoate
CID 66172721
3-amino-N-[5-chloro-2-(dimethylamino)phenyl]-2-methylpropanamide
CID 55104508
5-amino-N-(5-chloro-2-pyridinyl)-2-methylpentanamide
CID 104683574
4-[(5-amino-2-methylpentanoyl)amino]-2-chlorobenzamide
CID 104684164
4-[(5-amino-2-methylpentanoyl)amino]-2-chlorobenzoic acid
CID 112547679

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-2-methylpentanoyl)amino]-4-chloro-N,N-dimethylbenzamide?
The IUPAC name of 2-[(5-amino-2-methylpentanoyl)amino]-4-chloro-N,N-dimethylbenzamide (CID 104683758) is 2-[(5-amino-2-methylpentanoyl)amino]-4-chloro-N,N-dimethylbenzamide.
What is the SMILES notation for 2-[(5-amino-2-methylpentanoyl)amino]-4-chloro-N,N-dimethylbenzamide?
The canonical SMILES for 2-[(5-amino-2-methylpentanoyl)amino]-4-chloro-N,N-dimethylbenzamide is CC(CCCN)C(=O)Nc1cc(Cl)ccc1C(=O)N(C)C.
What is the InChIKey of 2-[(5-amino-2-methylpentanoyl)amino]-4-chloro-N,N-dimethylbenzamide?
The InChIKey is SHXAFFNSRIFXQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O2/c1-10(5-4-8-17)14(20)18-13-9-11(16)6-7-12(13)15(21)19(2)3/h6-7,9-10H,4-5,8,17H2,1-3H3,(H,18,20).
What are the key properties of 2-[(5-amino-2-methylpentanoyl)amino]-4-chloro-N,N-dimethylbenzamide?
2-[(5-amino-2-methylpentanoyl)amino]-4-chloro-N,N-dimethylbenzamide has a molecular weight of 311.81 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-2-methylpentanoyl)amino]-4-chloro-N,N-dimethylbenzamide is sourced from PubChem (CID 104683758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).