N-(5-acetamido-2-chlorophenyl)-2-amino-2-methylpentanamide;hydrochloride

C14H21Cl2N3O2 — CID 119707643

IUPACN-(5-acetamido-2-chlorophenyl)-2-amino-2-methylpentanamide;hydrochloride
SMILESCCCC(C)(N)C(=O)Nc1cc(NC(C)=O)ccc1Cl.Cl
InChIInChI=1S/C14H20ClN3O2.ClH/c1-4-7-14(3,16)13(20)18-12-8-10(17-9(2)19)5-6-11(12)15;/h5-6,8H,4,7,16H2,1-3H3,(H,17,19)(H,18,20);1H
InChIKeyCBWYJYYBEBEFNA-UHFFFAOYSA-N
MW334.25 g/mol
LogP3.18
Rot. Bonds5

About N-(5-acetamido-2-chlorophenyl)-2-amino-2-methylpentanamide;hydrochloride

N-(5-acetamido-2-chlorophenyl)-2-amino-2-methylpentanamide;hydrochloride (PubChem CID 119707643) has the molecular formula C14H21Cl2N3O2 and a molecular weight of 334.25 g/mol. Its IUPAC name is N-(5-acetamido-2-chlorophenyl)-2-amino-2-methylpentanamide;hydrochloride.

Molecular Properties

Compound NameN-(5-acetamido-2-chlorophenyl)-2-amino-2-methylpentanamide;hydrochloride
PubChem CID119707643
Molecular FormulaC14H21Cl2N3O2
Molecular Weight334.25 g/mol
Exact Mass333.10
IUPAC NameN-(5-acetamido-2-chlorophenyl)-2-amino-2-methylpentanamide;hydrochloride
SMILESCCCC(C)(N)C(=O)Nc1cc(NC(C)=O)ccc1Cl.Cl
InChIInChI=1S/C14H20ClN3O2.ClH/c1-4-7-14(3,16)13(20)18-12-8-10(17-9(2)19)5-6-11(12)15;/h5-6,8H,4,7,16H2,1-3H3,(H,17,19)(H,18,20);1H
InChIKeyCBWYJYYBEBEFNA-UHFFFAOYSA-N
XLogP3.18
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.25
LogP ≤ 53.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(2-amino-2-methylpentanoyl)amino]-2-chlorobenzamide;hydrochloride
CID 119711593
2-amino-N-(3-bromo-4-chlorophenyl)-2-methylpentanamide;hydrochloride
CID 119781400
5-[(2-amino-2-methylpentanoyl)amino]-2-chloro-N-methylbenzamide;hydrochloride
CID 119738495
2-amino-N-(2-chloro-5-nitrophenyl)-2-methylpentanamide
CID 60846513
2-amino-N-[4-chloro-3-(methylsulfinylmethyl)phenyl]-2-methylpentanamide;hydrochloride
CID 119790140
2-amino-N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-methylpentanamide;hydrochloride
CID 119683827
2-amino-N-(3-chloro-4-ethoxyphenyl)-2-methylpentanamide;hydrochloride
CID 119715576
5-[(2-amino-2-methylpentanoyl)amino]-2-chloro-N-cyclopropylbenzamide;hydrochloride
CID 119713294
N-(5-acetamido-2-fluorophenyl)-2-amino-2-methylbutanamide
CID 79796992
2-amino-2-methyl-N-[4-(propanoylamino)phenyl]pentanamide;hydrochloride
CID 119735835
N-[(4-acetamidophenyl)methyl]-2-amino-2-methylpentanamide
CID 61258515
2-amino-N-(2-bromo-5-chloro-4-methylphenyl)-2-methylpentanamide
CID 113445510

Frequently Asked Questions

What is the IUPAC name of N-(5-acetamido-2-chlorophenyl)-2-amino-2-methylpentanamide;hydrochloride?
The IUPAC name of N-(5-acetamido-2-chlorophenyl)-2-amino-2-methylpentanamide;hydrochloride (CID 119707643) is N-(5-acetamido-2-chlorophenyl)-2-amino-2-methylpentanamide;hydrochloride.
What is the SMILES notation for N-(5-acetamido-2-chlorophenyl)-2-amino-2-methylpentanamide;hydrochloride?
The canonical SMILES for N-(5-acetamido-2-chlorophenyl)-2-amino-2-methylpentanamide;hydrochloride is CCCC(C)(N)C(=O)Nc1cc(NC(C)=O)ccc1Cl.Cl.
What is the InChIKey of N-(5-acetamido-2-chlorophenyl)-2-amino-2-methylpentanamide;hydrochloride?
The InChIKey is CBWYJYYBEBEFNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O2.ClH/c1-4-7-14(3,16)13(20)18-12-8-10(17-9(2)19)5-6-11(12)15;/h5-6,8H,4,7,16H2,1-3H3,(H,17,19)(H,18,20);1H.
What are the key properties of N-(5-acetamido-2-chlorophenyl)-2-amino-2-methylpentanamide;hydrochloride?
N-(5-acetamido-2-chlorophenyl)-2-amino-2-methylpentanamide;hydrochloride has a molecular weight of 334.25 g/mol, XLogP of 3.18, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetamido-2-chlorophenyl)-2-amino-2-methylpentanamide;hydrochloride is sourced from PubChem (CID 119707643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).