N-(2-acetamido-5-chlorophenyl)-4-aminobutanamide;hydrochloride

C12H17Cl2N3O2 — CID 119308230

IUPACN-(2-acetamido-5-chlorophenyl)-4-aminobutanamide;hydrochloride
SMILESCC(=O)Nc1ccc(Cl)cc1NC(=O)CCCN.Cl
InChIInChI=1S/C12H16ClN3O2.ClH/c1-8(17)15-10-5-4-9(13)7-11(10)16-12(18)3-2-6-14;/h4-5,7H,2-3,6,14H2,1H3,(H,15,17)(H,16,18);1H
InChIKeyBOKCAOQOOFGOLY-UHFFFAOYSA-N
MW306.19 g/mol
LogP2.40
Rot. Bonds5

About N-(2-acetamido-5-chlorophenyl)-4-aminobutanamide;hydrochloride

N-(2-acetamido-5-chlorophenyl)-4-aminobutanamide;hydrochloride (PubChem CID 119308230) has the molecular formula C12H17Cl2N3O2 and a molecular weight of 306.19 g/mol. Its IUPAC name is N-(2-acetamido-5-chlorophenyl)-4-aminobutanamide;hydrochloride.

Molecular Properties

Compound NameN-(2-acetamido-5-chlorophenyl)-4-aminobutanamide;hydrochloride
PubChem CID119308230
Molecular FormulaC12H17Cl2N3O2
Molecular Weight306.19 g/mol
Exact Mass305.07
IUPAC NameN-(2-acetamido-5-chlorophenyl)-4-aminobutanamide;hydrochloride
SMILESCC(=O)Nc1ccc(Cl)cc1NC(=O)CCCN.Cl
InChIInChI=1S/C12H16ClN3O2.ClH/c1-8(17)15-10-5-4-9(13)7-11(10)16-12(18)3-2-6-14;/h4-5,7H,2-3,6,14H2,1H3,(H,15,17)(H,16,18);1H
InChIKeyBOKCAOQOOFGOLY-UHFFFAOYSA-N
XLogP2.40
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.19
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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4-amino-N-[5-chloro-2-(dimethylamino)phenyl]butanamide
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CID 119280748
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2-(4-aminobutanoylamino)-4-chloro-N-propylbenzamide;hydrochloride
CID 119283149
4-amino-N-(5-chloro-2-propoxyphenyl)butanamide
CID 54862408
N-(2-acetamido-5-methylphenyl)-3-aminopropanamide
CID 82034596
6-amino-N-(2-bromo-4-chlorophenyl)hexanamide
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CID 119310318

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamido-5-chlorophenyl)-4-aminobutanamide;hydrochloride?
The IUPAC name of N-(2-acetamido-5-chlorophenyl)-4-aminobutanamide;hydrochloride (CID 119308230) is N-(2-acetamido-5-chlorophenyl)-4-aminobutanamide;hydrochloride.
What is the SMILES notation for N-(2-acetamido-5-chlorophenyl)-4-aminobutanamide;hydrochloride?
The canonical SMILES for N-(2-acetamido-5-chlorophenyl)-4-aminobutanamide;hydrochloride is CC(=O)Nc1ccc(Cl)cc1NC(=O)CCCN.Cl.
What is the InChIKey of N-(2-acetamido-5-chlorophenyl)-4-aminobutanamide;hydrochloride?
The InChIKey is BOKCAOQOOFGOLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O2.ClH/c1-8(17)15-10-5-4-9(13)7-11(10)16-12(18)3-2-6-14;/h4-5,7H,2-3,6,14H2,1H3,(H,15,17)(H,16,18);1H.
What are the key properties of N-(2-acetamido-5-chlorophenyl)-4-aminobutanamide;hydrochloride?
N-(2-acetamido-5-chlorophenyl)-4-aminobutanamide;hydrochloride has a molecular weight of 306.19 g/mol, XLogP of 2.40, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamido-5-chlorophenyl)-4-aminobutanamide;hydrochloride is sourced from PubChem (CID 119308230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).