2-(4-aminobutanoylamino)-4-chloro-N-propylbenzamide;hydrochloride

C14H21Cl2N3O2 — CID 119283149

IUPAC2-(4-aminobutanoylamino)-4-chloro-N-propylbenzamide;hydrochloride
SMILESCCCNC(=O)c1ccc(Cl)cc1NC(=O)CCCN.Cl
InChIInChI=1S/C14H20ClN3O2.ClH/c1-2-8-17-14(20)11-6-5-10(15)9-12(11)18-13(19)4-3-7-16;/h5-6,9H,2-4,7-8,16H2,1H3,(H,17,20)(H,18,19);1H
InChIKeyDRGWPTLAEXNWAL-UHFFFAOYSA-N
MW334.25 g/mol
LogP2.58
Rot. Bonds7

About 2-(4-aminobutanoylamino)-4-chloro-N-propylbenzamide;hydrochloride

2-(4-aminobutanoylamino)-4-chloro-N-propylbenzamide;hydrochloride (PubChem CID 119283149) has the molecular formula C14H21Cl2N3O2 and a molecular weight of 334.25 g/mol. Its IUPAC name is 2-(4-aminobutanoylamino)-4-chloro-N-propylbenzamide;hydrochloride.

Molecular Properties

Compound Name2-(4-aminobutanoylamino)-4-chloro-N-propylbenzamide;hydrochloride
PubChem CID119283149
Molecular FormulaC14H21Cl2N3O2
Molecular Weight334.25 g/mol
Exact Mass333.10
IUPAC Name2-(4-aminobutanoylamino)-4-chloro-N-propylbenzamide;hydrochloride
SMILESCCCNC(=O)c1ccc(Cl)cc1NC(=O)CCCN.Cl
InChIInChI=1S/C14H20ClN3O2.ClH/c1-2-8-17-14(20)11-6-5-10(15)9-12(11)18-13(19)4-3-7-16;/h5-6,9H,2-4,7-8,16H2,1H3,(H,17,20)(H,18,19);1H
InChIKeyDRGWPTLAEXNWAL-UHFFFAOYSA-N
XLogP2.58
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.25
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-[4-(methylamino)butanoylamino]-N-propylbenzamide;hydrochloride
CID 119712093
4-chloro-2-[3-[(4-chlorobenzoyl)amino]propanoylamino]-N-propylbenzamide
CID 51121398
4-chloro-N-ethyl-2-[4-(methylamino)butanoylamino]benzamide
CID 119714153
2-(4-aminobutanoylamino)-5-chloro-N-ethylbenzamide
CID 119315753
4-[5-chloro-2-(propylcarbamoyl)anilino]-2,2-dimethyl-4-oxobutanoic acid
CID 119133655
4-chloro-N-propyl-2-[(2-pyrimidin-5-ylacetyl)amino]benzamide
CID 139006181
4-chloro-2-[[2-(2-methoxyethylamino)acetyl]amino]-N-propylbenzamide
CID 119712122
4-chloro-2-[[2-(cyclopropylmethylamino)acetyl]amino]-N-propylbenzamide
CID 119712108
N-(2-acetamido-5-chlorophenyl)-4-aminobutanamide;hydrochloride
CID 119308230
4-chloro-2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-N-propylbenzamide
CID 55896752
4-chloro-2-[4-(5-phenyl-1,3-oxazol-2-yl)butanoylamino]-N-propylbenzamide
CID 55894851
2-(3-aminopropanoylamino)-4-chloro-N-propan-2-ylbenzamide;hydrochloride
CID 119283724

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminobutanoylamino)-4-chloro-N-propylbenzamide;hydrochloride?
The IUPAC name of 2-(4-aminobutanoylamino)-4-chloro-N-propylbenzamide;hydrochloride (CID 119283149) is 2-(4-aminobutanoylamino)-4-chloro-N-propylbenzamide;hydrochloride.
What is the SMILES notation for 2-(4-aminobutanoylamino)-4-chloro-N-propylbenzamide;hydrochloride?
The canonical SMILES for 2-(4-aminobutanoylamino)-4-chloro-N-propylbenzamide;hydrochloride is CCCNC(=O)c1ccc(Cl)cc1NC(=O)CCCN.Cl.
What is the InChIKey of 2-(4-aminobutanoylamino)-4-chloro-N-propylbenzamide;hydrochloride?
The InChIKey is DRGWPTLAEXNWAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O2.ClH/c1-2-8-17-14(20)11-6-5-10(15)9-12(11)18-13(19)4-3-7-16;/h5-6,9H,2-4,7-8,16H2,1H3,(H,17,20)(H,18,19);1H.
What are the key properties of 2-(4-aminobutanoylamino)-4-chloro-N-propylbenzamide;hydrochloride?
2-(4-aminobutanoylamino)-4-chloro-N-propylbenzamide;hydrochloride has a molecular weight of 334.25 g/mol, XLogP of 2.58, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminobutanoylamino)-4-chloro-N-propylbenzamide;hydrochloride is sourced from PubChem (CID 119283149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).