2-amino-N-(4-chlorophenyl)butanediamide

C10H12ClN3O2 — CID 60846546

IUPAC2-amino-N-(4-chlorophenyl)butanediamide
SMILESNC(=O)CC(N)C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C10H12ClN3O2/c11-6-1-3-7(4-2-6)14-10(16)8(12)5-9(13)15/h1-4,8H,5,12H2,(H2,13,15)(H,14,16)
InChIKeyJOZBTYPZYDWXFA-UHFFFAOYSA-N
MW241.68 g/mol
LogP0.48
Rot. Bonds4

About 2-amino-N-(4-chlorophenyl)butanediamide

2-amino-N-(4-chlorophenyl)butanediamide (PubChem CID 60846546) has the molecular formula C10H12ClN3O2 and a molecular weight of 241.68 g/mol. Its IUPAC name is 2-amino-N-(4-chlorophenyl)butanediamide.

Molecular Properties

Compound Name2-amino-N-(4-chlorophenyl)butanediamide
PubChem CID60846546
Molecular FormulaC10H12ClN3O2
Molecular Weight241.68 g/mol
Exact Mass241.06
IUPAC Name2-amino-N-(4-chlorophenyl)butanediamide
SMILESNC(=O)CC(N)C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C10H12ClN3O2/c11-6-1-3-7(4-2-6)14-10(16)8(12)5-9(13)15/h1-4,8H,5,12H2,(H2,13,15)(H,14,16)
InChIKeyJOZBTYPZYDWXFA-UHFFFAOYSA-N
XLogP0.48
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.68
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-phenylbutanediamide;dihydrochloride
CID 70455433
(2R)-2-amino-N-(4-chlorophenyl)pentanamide
CID 93255469
2-amino-N-(4-nitrophenyl)butanediamide
CID 54928056
2-amino-N-(4-chloro-2-fluorophenyl)butanediamide
CID 54928613
2-amino-N-[4-(pyrrolidin-1-ylmethyl)phenyl]butanediamide
CID 60848333
2-amino-N-[4-(methylsulfamoyl)phenyl]butanediamide
CID 60851728
(E)-3-[4-[(2,4-diamino-4-oxobutanoyl)amino]phenyl]prop-2-enoic acid
CID 115342327
2-amino-N-[4-(difluoromethoxy)phenyl]butanediamide;hydrochloride
CID 119955811
(2R)-2-amino-N-(4-chlorophenyl)propanamide
CID 7183165
(2R)-2-amino-N-[2-(4-chlorophenyl)ethyl]butanediamide
CID 83340796
2-amino-N-[4-(tert-butylcarbamoyl)phenyl]butanediamide
CID 119956305
4-chloro-2-[(2,4-diamino-4-oxobutanoyl)amino]benzoic acid
CID 61158455

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-chlorophenyl)butanediamide?
The IUPAC name of 2-amino-N-(4-chlorophenyl)butanediamide (CID 60846546) is 2-amino-N-(4-chlorophenyl)butanediamide.
What is the SMILES notation for 2-amino-N-(4-chlorophenyl)butanediamide?
The canonical SMILES for 2-amino-N-(4-chlorophenyl)butanediamide is NC(=O)CC(N)C(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of 2-amino-N-(4-chlorophenyl)butanediamide?
The InChIKey is JOZBTYPZYDWXFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O2/c11-6-1-3-7(4-2-6)14-10(16)8(12)5-9(13)15/h1-4,8H,5,12H2,(H2,13,15)(H,14,16).
What are the key properties of 2-amino-N-(4-chlorophenyl)butanediamide?
2-amino-N-(4-chlorophenyl)butanediamide has a molecular weight of 241.68 g/mol, XLogP of 0.48, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-chlorophenyl)butanediamide is sourced from PubChem (CID 60846546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).