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

C15H22ClN3O2 — CID 60847700

IUPAC2-[(2-amino-2-methylpentanoyl)amino]-4-chloro-N,N-dimethylbenzamide
SMILESCCCC(C)(N)C(=O)Nc1cc(Cl)ccc1C(=O)N(C)C
InChIInChI=1S/C15H22ClN3O2/c1-5-8-15(2,17)14(21)18-12-9-10(16)6-7-11(12)13(20)19(3)4/h6-7,9H,5,8,17H2,1-4H3,(H,18,21)
InChIKeyBXYVCOGHMNTQMN-UHFFFAOYSA-N
MW311.81 g/mol
LogP2.50
Rot. Bonds5

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

2-[(2-amino-2-methylpentanoyl)amino]-4-chloro-N,N-dimethylbenzamide (PubChem CID 60847700) has the molecular formula C15H22ClN3O2 and a molecular weight of 311.81 g/mol. Its IUPAC name is 2-[(2-amino-2-methylpentanoyl)amino]-4-chloro-N,N-dimethylbenzamide.

Molecular Properties

Compound Name2-[(2-amino-2-methylpentanoyl)amino]-4-chloro-N,N-dimethylbenzamide
PubChem CID60847700
Molecular FormulaC15H22ClN3O2
Molecular Weight311.81 g/mol
Exact Mass311.14
IUPAC Name2-[(2-amino-2-methylpentanoyl)amino]-4-chloro-N,N-dimethylbenzamide
SMILESCCCC(C)(N)C(=O)Nc1cc(Cl)ccc1C(=O)N(C)C
InChIInChI=1S/C15H22ClN3O2/c1-5-8-15(2,17)14(21)18-12-9-10(16)6-7-11(12)13(20)19(3)4/h6-7,9H,5,8,17H2,1-4H3,(H,18,21)
InChIKeyBXYVCOGHMNTQMN-UHFFFAOYSA-N
XLogP2.50
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-[(2-chloroacetyl)amino]-N,N-dimethylbenzamide
CID 43695965
2-amino-N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-methylpentanamide;hydrochloride
CID 119683827
2-[(2-amino-2-methylpentanoyl)amino]-4,5-difluorobenzoic acid
CID 62866091
2-(2-bromopropanoylamino)-4-chloro-N,N-dimethylbenzamide
CID 114014319
4-chloro-N,N-dimethyl-2-[[2-(propan-2-ylamino)acetyl]amino]benzamide
CID 60843063
2-[(5-amino-2-methylpentanoyl)amino]-4-chloro-N,N-dimethylbenzamide
CID 104683758
N-(2-carbamothioyl-5-chlorophenyl)-2,2-dimethylbutanamide
CID 64915596
N-(5-acetamido-2-chlorophenyl)-2-amino-2-methylpentanamide;hydrochloride
CID 119707643
4-chloro-2-(cyclohexylmethylamino)-N,N-dimethylbenzamide
CID 43737639
2-amino-N-(2-tert-butylphenyl)-2-methylpentanamide;hydrochloride
CID 119399942
2-[(2-amino-2-methylpentanoyl)amino]benzoic acid
CID 61157007
4-chloro-N,N-dimethyl-2-[(4-methylcyclohexyl)amino]benzamide
CID 43737618

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-methylpentanoyl)amino]-4-chloro-N,N-dimethylbenzamide?
The IUPAC name of 2-[(2-amino-2-methylpentanoyl)amino]-4-chloro-N,N-dimethylbenzamide (CID 60847700) is 2-[(2-amino-2-methylpentanoyl)amino]-4-chloro-N,N-dimethylbenzamide.
What is the SMILES notation for 2-[(2-amino-2-methylpentanoyl)amino]-4-chloro-N,N-dimethylbenzamide?
The canonical SMILES for 2-[(2-amino-2-methylpentanoyl)amino]-4-chloro-N,N-dimethylbenzamide is CCCC(C)(N)C(=O)Nc1cc(Cl)ccc1C(=O)N(C)C.
What is the InChIKey of 2-[(2-amino-2-methylpentanoyl)amino]-4-chloro-N,N-dimethylbenzamide?
The InChIKey is BXYVCOGHMNTQMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O2/c1-5-8-15(2,17)14(21)18-12-9-10(16)6-7-11(12)13(20)19(3)4/h6-7,9H,5,8,17H2,1-4H3,(H,18,21).
What are the key properties of 2-[(2-amino-2-methylpentanoyl)amino]-4-chloro-N,N-dimethylbenzamide?
2-[(2-amino-2-methylpentanoyl)amino]-4-chloro-N,N-dimethylbenzamide has a molecular weight of 311.81 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-methylpentanoyl)amino]-4-chloro-N,N-dimethylbenzamide is sourced from PubChem (CID 60847700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).