2-(4-aminobutanoylamino)-5-chloro-N-ethylbenzamide

C13H18ClN3O2 — CID 119315753

IUPAC2-(4-aminobutanoylamino)-5-chloro-N-ethylbenzamide
SMILESCCNC(=O)c1cc(Cl)ccc1NC(=O)CCCN
InChIInChI=1S/C13H18ClN3O2/c1-2-16-13(19)10-8-9(14)5-6-11(10)17-12(18)4-3-7-15/h5-6,8H,2-4,7,15H2,1H3,(H,16,19)(H,17,18)
InChIKeyPFQFVSPKKOSQRJ-UHFFFAOYSA-N
MW283.76 g/mol
LogP1.77
Rot. Bonds6

About 2-(4-aminobutanoylamino)-5-chloro-N-ethylbenzamide

2-(4-aminobutanoylamino)-5-chloro-N-ethylbenzamide (PubChem CID 119315753) has the molecular formula C13H18ClN3O2 and a molecular weight of 283.76 g/mol. Its IUPAC name is 2-(4-aminobutanoylamino)-5-chloro-N-ethylbenzamide.

Molecular Properties

Compound Name2-(4-aminobutanoylamino)-5-chloro-N-ethylbenzamide
PubChem CID119315753
Molecular FormulaC13H18ClN3O2
Molecular Weight283.76 g/mol
Exact Mass283.11
IUPAC Name2-(4-aminobutanoylamino)-5-chloro-N-ethylbenzamide
SMILESCCNC(=O)c1cc(Cl)ccc1NC(=O)CCCN
InChIInChI=1S/C13H18ClN3O2/c1-2-16-13(19)10-8-9(14)5-6-11(10)17-12(18)4-3-7-15/h5-6,8H,2-4,7,15H2,1H3,(H,16,19)(H,17,18)
InChIKeyPFQFVSPKKOSQRJ-UHFFFAOYSA-N
XLogP1.77
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-aminobutanoylamino)-4-chloro-N-propylbenzamide;hydrochloride
CID 119283149
2-(3-aminopropanoylamino)-5-chloro-N-methylbenzamide
CID 119284267
4-chloro-N-ethyl-2-[4-(methylamino)butanoylamino]benzamide
CID 119714153
N-(2-acetamido-5-chlorophenyl)-4-aminobutanamide;hydrochloride
CID 119308230
5-chloro-2-[[2-(cyclopropylmethylamino)acetyl]amino]-N-ethylbenzamide;hydrochloride
CID 119770124
4-amino-N-[5-chloro-2-(2-methylpropanoylamino)phenyl]butanamide
CID 39194061
2-bromo-5-chloro-N-ethylbenzamide
CID 18630175
5-chloro-N-ethyl-2-[(2-pyrrolidin-2-ylacetyl)amino]benzamide
CID 119770135
4-amino-N-[5-chloro-2-(dimethylamino)phenyl]butanamide
CID 43710281
2-(4-aminopentanoylamino)-5-chloro-N-methylbenzamide
CID 120560026
4-amino-N-(5-chloro-2-propoxyphenyl)butanamide
CID 54862408
2-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-5-chloro-N-ethylbenzamide
CID 119770119

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminobutanoylamino)-5-chloro-N-ethylbenzamide?
The IUPAC name of 2-(4-aminobutanoylamino)-5-chloro-N-ethylbenzamide (CID 119315753) is 2-(4-aminobutanoylamino)-5-chloro-N-ethylbenzamide.
What is the SMILES notation for 2-(4-aminobutanoylamino)-5-chloro-N-ethylbenzamide?
The canonical SMILES for 2-(4-aminobutanoylamino)-5-chloro-N-ethylbenzamide is CCNC(=O)c1cc(Cl)ccc1NC(=O)CCCN.
What is the InChIKey of 2-(4-aminobutanoylamino)-5-chloro-N-ethylbenzamide?
The InChIKey is PFQFVSPKKOSQRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O2/c1-2-16-13(19)10-8-9(14)5-6-11(10)17-12(18)4-3-7-15/h5-6,8H,2-4,7,15H2,1H3,(H,16,19)(H,17,18).
What are the key properties of 2-(4-aminobutanoylamino)-5-chloro-N-ethylbenzamide?
2-(4-aminobutanoylamino)-5-chloro-N-ethylbenzamide has a molecular weight of 283.76 g/mol, XLogP of 1.77, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminobutanoylamino)-5-chloro-N-ethylbenzamide is sourced from PubChem (CID 119315753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).