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

C12H17Cl2N3O2 — CID 119280748

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

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

N-(5-acetamido-2-chlorophenyl)-4-aminobutanamide;hydrochloride (PubChem CID 119280748) has the molecular formula C12H17Cl2N3O2 and a molecular weight of 306.19 g/mol. Its IUPAC name is N-(5-acetamido-2-chlorophenyl)-4-aminobutanamide;hydrochloride.

Molecular Properties

Compound NameN-(5-acetamido-2-chlorophenyl)-4-aminobutanamide;hydrochloride
PubChem CID119280748
Molecular FormulaC12H17Cl2N3O2
Molecular Weight306.19 g/mol
Exact Mass305.07
IUPAC NameN-(5-acetamido-2-chlorophenyl)-4-aminobutanamide;hydrochloride
SMILESCC(=O)Nc1ccc(Cl)c(NC(=O)CCCN)c1.Cl
InChIInChI=1S/C12H16ClN3O2.ClH/c1-8(17)15-9-4-5-10(13)11(7-9)16-12(18)3-2-6-14;/h4-5,7H,2-3,6,14H2,1H3,(H,15,17)(H,16,18);1H
InChIKeyNXKKMMNCUNXGFR-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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CID 119707605
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4-amino-N-(3,4-dichlorophenyl)butanamide;hydrochloride
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N-(5-acetamido-2-chlorophenyl)octanamide
CID 60538690
N-[3-(4-aminobutanoylamino)-4-chlorophenyl]pyridine-4-carboxamide
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N-[3-(3-aminopropanoylamino)-4-chlorophenyl]butanamide
CID 82034391
3-amino-N-[2-chloro-5-(propanoylamino)phenyl]propanamide
CID 43701444
N-[3-(4-aminobutanoylamino)-4-chlorophenyl]furan-2-carboxamide
CID 39193126
N-(2-acetamido-5-chlorophenyl)-4-aminobutanamide;hydrochloride
CID 119308230
3-amino-N-[4-chloro-3-[(2-chloroacetyl)amino]phenyl]propanamide
CID 82034449
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6-amino-N-(2,5-dichlorophenyl)hexanamide
CID 24694210

Frequently Asked Questions

What is the IUPAC name of N-(5-acetamido-2-chlorophenyl)-4-aminobutanamide;hydrochloride?
The IUPAC name of N-(5-acetamido-2-chlorophenyl)-4-aminobutanamide;hydrochloride (CID 119280748) is N-(5-acetamido-2-chlorophenyl)-4-aminobutanamide;hydrochloride.
What is the SMILES notation for N-(5-acetamido-2-chlorophenyl)-4-aminobutanamide;hydrochloride?
The canonical SMILES for N-(5-acetamido-2-chlorophenyl)-4-aminobutanamide;hydrochloride is CC(=O)Nc1ccc(Cl)c(NC(=O)CCCN)c1.Cl.
What is the InChIKey of N-(5-acetamido-2-chlorophenyl)-4-aminobutanamide;hydrochloride?
The InChIKey is NXKKMMNCUNXGFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O2.ClH/c1-8(17)15-9-4-5-10(13)11(7-9)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-(5-acetamido-2-chlorophenyl)-4-aminobutanamide;hydrochloride?
N-(5-acetamido-2-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-(5-acetamido-2-chlorophenyl)-4-aminobutanamide;hydrochloride is sourced from PubChem (CID 119280748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).