4-chloro-N-ethyl-2-[4-(methylamino)butanoylamino]benzamide

C14H20ClN3O2 — CID 119714153

IUPAC4-chloro-N-ethyl-2-[4-(methylamino)butanoylamino]benzamide
SMILESCCNC(=O)c1ccc(Cl)cc1NC(=O)CCCNC
InChIInChI=1S/C14H20ClN3O2/c1-3-17-14(20)11-7-6-10(15)9-12(11)18-13(19)5-4-8-16-2/h6-7,9,16H,3-5,8H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyPJOODRIGQIVDPA-UHFFFAOYSA-N
MW297.79 g/mol
LogP2.03
Rot. Bonds7

About 4-chloro-N-ethyl-2-[4-(methylamino)butanoylamino]benzamide

4-chloro-N-ethyl-2-[4-(methylamino)butanoylamino]benzamide (PubChem CID 119714153) has the molecular formula C14H20ClN3O2 and a molecular weight of 297.79 g/mol. Its IUPAC name is 4-chloro-N-ethyl-2-[4-(methylamino)butanoylamino]benzamide.

Molecular Properties

Compound Name4-chloro-N-ethyl-2-[4-(methylamino)butanoylamino]benzamide
PubChem CID119714153
Molecular FormulaC14H20ClN3O2
Molecular Weight297.79 g/mol
Exact Mass297.12
IUPAC Name4-chloro-N-ethyl-2-[4-(methylamino)butanoylamino]benzamide
SMILESCCNC(=O)c1ccc(Cl)cc1NC(=O)CCCNC
InChIInChI=1S/C14H20ClN3O2/c1-3-17-14(20)11-7-6-10(15)9-12(11)18-13(19)5-4-8-16-2/h6-7,9,16H,3-5,8H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyPJOODRIGQIVDPA-UHFFFAOYSA-N
XLogP2.03
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 52.03
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-2-[4-(methylamino)butanoylamino]-N-propylbenzamide;hydrochloride
CID 119712093
N-(5-chloro-2-methylphenyl)-4-(methylamino)butanamide
CID 60841323
2-(4-aminobutanoylamino)-4-chloro-N-propylbenzamide;hydrochloride
CID 119283149
2-(4-aminobutanoylamino)-5-chloro-N-ethylbenzamide
CID 119315753
5-[5-chloro-2-(ethylcarbamoyl)anilino]-3,3-dimethyl-5-oxopentanoic acid
CID 51088112
4-chloro-2-[3-[(4-chlorobenzoyl)amino]propanoylamino]-N-propylbenzamide
CID 51121398
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-4-(methylamino)butanamide;hydrochloride
CID 119683791
N-(5-chloro-2-propan-2-ylsulfanylphenyl)-4-(methylamino)butanamide;hydrochloride
CID 119776592
N-[5-chloro-2-[3-(methylamino)propylcarbamoyl]phenyl]-2-methylfuran-3-carboxamide
CID 119433464
N-(3-chlorophenyl)-4-(methylamino)butanamide
CID 60843448
4-bromo-2-[4-(methylamino)butanoylamino]benzoic acid
CID 61160936
methyl 4-chloro-2-(4-hydroxybutanoylamino)benzoate
CID 79203242

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-ethyl-2-[4-(methylamino)butanoylamino]benzamide?
The IUPAC name of 4-chloro-N-ethyl-2-[4-(methylamino)butanoylamino]benzamide (CID 119714153) is 4-chloro-N-ethyl-2-[4-(methylamino)butanoylamino]benzamide.
What is the SMILES notation for 4-chloro-N-ethyl-2-[4-(methylamino)butanoylamino]benzamide?
The canonical SMILES for 4-chloro-N-ethyl-2-[4-(methylamino)butanoylamino]benzamide is CCNC(=O)c1ccc(Cl)cc1NC(=O)CCCNC.
What is the InChIKey of 4-chloro-N-ethyl-2-[4-(methylamino)butanoylamino]benzamide?
The InChIKey is PJOODRIGQIVDPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O2/c1-3-17-14(20)11-7-6-10(15)9-12(11)18-13(19)5-4-8-16-2/h6-7,9,16H,3-5,8H2,1-2H3,(H,17,20)(H,18,19).
What are the key properties of 4-chloro-N-ethyl-2-[4-(methylamino)butanoylamino]benzamide?
4-chloro-N-ethyl-2-[4-(methylamino)butanoylamino]benzamide has a molecular weight of 297.79 g/mol, XLogP of 2.03, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-ethyl-2-[4-(methylamino)butanoylamino]benzamide is sourced from PubChem (CID 119714153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).