4-chloro-2-[4-(methylamino)butanoylamino]-N-propylbenzamide;hydrochloride

C15H23Cl2N3O2 — CID 119712093

IUPAC4-chloro-2-[4-(methylamino)butanoylamino]-N-propylbenzamide;hydrochloride
SMILESCCCNC(=O)c1ccc(Cl)cc1NC(=O)CCCNC.Cl
InChIInChI=1S/C15H22ClN3O2.ClH/c1-3-8-18-15(21)12-7-6-11(16)10-13(12)19-14(20)5-4-9-17-2;/h6-7,10,17H,3-5,8-9H2,1-2H3,(H,18,21)(H,19,20);1H
InChIKeyAVPZJTAUEBCLGN-UHFFFAOYSA-N
MW348.27 g/mol
LogP2.84
Rot. Bonds8

About 4-chloro-2-[4-(methylamino)butanoylamino]-N-propylbenzamide;hydrochloride

4-chloro-2-[4-(methylamino)butanoylamino]-N-propylbenzamide;hydrochloride (PubChem CID 119712093) has the molecular formula C15H23Cl2N3O2 and a molecular weight of 348.27 g/mol. Its IUPAC name is 4-chloro-2-[4-(methylamino)butanoylamino]-N-propylbenzamide;hydrochloride.

Molecular Properties

Compound Name4-chloro-2-[4-(methylamino)butanoylamino]-N-propylbenzamide;hydrochloride
PubChem CID119712093
Molecular FormulaC15H23Cl2N3O2
Molecular Weight348.27 g/mol
Exact Mass347.12
IUPAC Name4-chloro-2-[4-(methylamino)butanoylamino]-N-propylbenzamide;hydrochloride
SMILESCCCNC(=O)c1ccc(Cl)cc1NC(=O)CCCNC.Cl
InChIInChI=1S/C15H22ClN3O2.ClH/c1-3-8-18-15(21)12-7-6-11(16)10-13(12)19-14(20)5-4-9-17-2;/h6-7,10,17H,3-5,8-9H2,1-2H3,(H,18,21)(H,19,20);1H
InChIKeyAVPZJTAUEBCLGN-UHFFFAOYSA-N
XLogP2.84
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.27
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-ethyl-2-[4-(methylamino)butanoylamino]benzamide
CID 119714153
2-(4-aminobutanoylamino)-4-chloro-N-propylbenzamide;hydrochloride
CID 119283149
4-chloro-2-[3-[(4-chlorobenzoyl)amino]propanoylamino]-N-propylbenzamide
CID 51121398
N-(5-chloro-2-methylphenyl)-4-(methylamino)butanamide
CID 60841323
4-[5-chloro-2-(propylcarbamoyl)anilino]-2,2-dimethyl-4-oxobutanoic acid
CID 119133655
4-chloro-2-[[2-(2-methoxyethylamino)acetyl]amino]-N-propylbenzamide
CID 119712122
4-chloro-N-propyl-2-[(2-pyrimidin-5-ylacetyl)amino]benzamide
CID 139006181
2-(2-butylsulfanylpropanoylamino)-4-chloro-N-propylbenzamide
CID 55919554
4-chloro-2-[[2-(cyclopropylmethylamino)acetyl]amino]-N-propylbenzamide
CID 119712108
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-4-(methylamino)butanamide;hydrochloride
CID 119683791
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

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[4-(methylamino)butanoylamino]-N-propylbenzamide;hydrochloride?
The IUPAC name of 4-chloro-2-[4-(methylamino)butanoylamino]-N-propylbenzamide;hydrochloride (CID 119712093) is 4-chloro-2-[4-(methylamino)butanoylamino]-N-propylbenzamide;hydrochloride.
What is the SMILES notation for 4-chloro-2-[4-(methylamino)butanoylamino]-N-propylbenzamide;hydrochloride?
The canonical SMILES for 4-chloro-2-[4-(methylamino)butanoylamino]-N-propylbenzamide;hydrochloride is CCCNC(=O)c1ccc(Cl)cc1NC(=O)CCCNC.Cl.
What is the InChIKey of 4-chloro-2-[4-(methylamino)butanoylamino]-N-propylbenzamide;hydrochloride?
The InChIKey is AVPZJTAUEBCLGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O2.ClH/c1-3-8-18-15(21)12-7-6-11(16)10-13(12)19-14(20)5-4-9-17-2;/h6-7,10,17H,3-5,8-9H2,1-2H3,(H,18,21)(H,19,20);1H.
What are the key properties of 4-chloro-2-[4-(methylamino)butanoylamino]-N-propylbenzamide;hydrochloride?
4-chloro-2-[4-(methylamino)butanoylamino]-N-propylbenzamide;hydrochloride has a molecular weight of 348.27 g/mol, XLogP of 2.84, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[4-(methylamino)butanoylamino]-N-propylbenzamide;hydrochloride is sourced from PubChem (CID 119712093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).