2-amino-N-(5-carbamoyl-2-chlorophenyl)butanediamide

C11H13ClN4O3 — CID 60847978

IUPAC2-amino-N-(5-carbamoyl-2-chlorophenyl)butanediamide
SMILESNC(=O)CC(N)C(=O)Nc1cc(C(N)=O)ccc1Cl
InChIInChI=1S/C11H13ClN4O3/c12-6-2-1-5(10(15)18)3-8(6)16-11(19)7(13)4-9(14)17/h1-3,7H,4,13H2,(H2,14,17)(H2,15,18)(H,16,19)
InChIKeyNIMATBHPIHTPKV-UHFFFAOYSA-N
MW284.70 g/mol
LogP-0.42
Rot. Bonds5

About 2-amino-N-(5-carbamoyl-2-chlorophenyl)butanediamide

2-amino-N-(5-carbamoyl-2-chlorophenyl)butanediamide (PubChem CID 60847978) has the molecular formula C11H13ClN4O3 and a molecular weight of 284.70 g/mol. Its IUPAC name is 2-amino-N-(5-carbamoyl-2-chlorophenyl)butanediamide.

Molecular Properties

Compound Name2-amino-N-(5-carbamoyl-2-chlorophenyl)butanediamide
PubChem CID60847978
Molecular FormulaC11H13ClN4O3
Molecular Weight284.70 g/mol
Exact Mass284.07
IUPAC Name2-amino-N-(5-carbamoyl-2-chlorophenyl)butanediamide
SMILESNC(=O)CC(N)C(=O)Nc1cc(C(N)=O)ccc1Cl
InChIInChI=1S/C11H13ClN4O3/c12-6-2-1-5(10(15)18)3-8(6)16-11(19)7(13)4-9(14)17/h1-3,7H,4,13H2,(H2,14,17)(H2,15,18)(H,16,19)
InChIKeyNIMATBHPIHTPKV-UHFFFAOYSA-N
XLogP-0.42
TPSA141.30 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.70
LogP ≤ 5-0.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(2-chloro-5-fluorophenyl)butanediamide
CID 113288249
3-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-4-chlorobenzamide
CID 61154980
3-[[(2S)-2-amino-3-methylpentanoyl]amino]-4-chlorobenzamide
CID 61174061
3-[[2-(aminomethyl)-3-methylbutanoyl]amino]-4-chlorobenzamide
CID 65225825
3-(carbamothioylamino)-4-chlorobenzamide
CID 86665570
4-bromo-3-[(2,4-diamino-4-oxobutanoyl)amino]benzoic acid
CID 107813544
2-amino-N-(4-chloro-2-fluorophenyl)butanediamide
CID 54928613
3-[[(2S)-2-aminopentanoyl]amino]-4-chlorobenzoic acid
CID 103869558
4-chloro-2-[(2,4-diamino-4-oxobutanoyl)amino]benzoic acid
CID 61158455
3-[[(2S)-2-amino-4-methylpentanoyl]amino]-4-methylbenzamide
CID 119711747
4-chloro-3-[[2-(4-chlorophenyl)acetyl]amino]benzamide
CID 50875886
3-[[(2R)-2-amino-4-methylpentanoyl]amino]-4-fluorobenzamide
CID 104902798

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(5-carbamoyl-2-chlorophenyl)butanediamide?
The IUPAC name of 2-amino-N-(5-carbamoyl-2-chlorophenyl)butanediamide (CID 60847978) is 2-amino-N-(5-carbamoyl-2-chlorophenyl)butanediamide.
What is the SMILES notation for 2-amino-N-(5-carbamoyl-2-chlorophenyl)butanediamide?
The canonical SMILES for 2-amino-N-(5-carbamoyl-2-chlorophenyl)butanediamide is NC(=O)CC(N)C(=O)Nc1cc(C(N)=O)ccc1Cl.
What is the InChIKey of 2-amino-N-(5-carbamoyl-2-chlorophenyl)butanediamide?
The InChIKey is NIMATBHPIHTPKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4O3/c12-6-2-1-5(10(15)18)3-8(6)16-11(19)7(13)4-9(14)17/h1-3,7H,4,13H2,(H2,14,17)(H2,15,18)(H,16,19).
What are the key properties of 2-amino-N-(5-carbamoyl-2-chlorophenyl)butanediamide?
2-amino-N-(5-carbamoyl-2-chlorophenyl)butanediamide has a molecular weight of 284.70 g/mol, XLogP of -0.42, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(5-carbamoyl-2-chlorophenyl)butanediamide is sourced from PubChem (CID 60847978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).