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

C14H21Cl2N3O2 — CID 119703400

IUPAC4-chloro-N-[2-[4-(methylamino)butanoylamino]ethyl]benzamide;hydrochloride
SMILESCNCCCC(=O)NCCNC(=O)c1ccc(Cl)cc1.Cl
InChIInChI=1S/C14H20ClN3O2.ClH/c1-16-8-2-3-13(19)17-9-10-18-14(20)11-4-6-12(15)7-5-11;/h4-7,16H,2-3,8-10H2,1H3,(H,17,19)(H,18,20);1H
InChIKeyPQODOVYBFFGMCK-UHFFFAOYSA-N
MW334.25 g/mol
LogP1.61
Rot. Bonds8

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

4-chloro-N-[2-[4-(methylamino)butanoylamino]ethyl]benzamide;hydrochloride (PubChem CID 119703400) has the molecular formula C14H21Cl2N3O2 and a molecular weight of 334.25 g/mol. Its IUPAC name is 4-chloro-N-[2-[4-(methylamino)butanoylamino]ethyl]benzamide;hydrochloride.

Molecular Properties

Compound Name4-chloro-N-[2-[4-(methylamino)butanoylamino]ethyl]benzamide;hydrochloride
PubChem CID119703400
Molecular FormulaC14H21Cl2N3O2
Molecular Weight334.25 g/mol
Exact Mass333.10
IUPAC Name4-chloro-N-[2-[4-(methylamino)butanoylamino]ethyl]benzamide;hydrochloride
SMILESCNCCCC(=O)NCCNC(=O)c1ccc(Cl)cc1.Cl
InChIInChI=1S/C14H20ClN3O2.ClH/c1-16-8-2-3-13(19)17-9-10-18-14(20)11-4-6-12(15)7-5-11;/h4-7,16H,2-3,8-10H2,1H3,(H,17,19)(H,18,20);1H
InChIKeyPQODOVYBFFGMCK-UHFFFAOYSA-N
XLogP1.61
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.25
LogP ≤ 51.61
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-(4-chlorophenyl)-N-[3-(methylamino)propyl]-4-oxobutanamide;hydrochloride
CID 119432701
N-[2-(4-chlorophenyl)ethyl]-4-(methylamino)butanamide
CID 61259854
N-[3-(4-chlorophenyl)propyl]-4-(methylamino)butanamide
CID 119764682
4-chloro-N-[4-[2-(4-methoxyphenyl)ethylamino]-4-oxobutyl]benzamide
CID 17432466
3-[4-[(4-chlorobenzoyl)amino]butanoylamino]-2-methylpropanoic acid
CID 119237285
4-bromo-N-[3-[2-(methylamino)ethylamino]-3-oxopropyl]benzamide;hydrochloride
CID 119503431
4-(4-chlorophenyl)-N-[3-(methylamino)propyl]butanamide
CID 174351347
4-(4-chlorophenyl)sulfanyl-N-[2-(methylamino)ethyl]butanamide;hydrochloride
CID 119500449
N-[2-[4-(4-chlorophenyl)butanoylamino]ethyl]benzamide
CID 110309420
4-chloro-N-[4-(ethoxyamino)-4-oxobutyl]benzamide
CID 18169010
4-chloro-N-[4-(cyclopropylmethylamino)-4-oxobutyl]benzamide
CID 46541860
4-chloro-N-[4-[2-(4-fluorophenyl)ethylamino]-4-oxobutyl]benzamide
CID 27256594

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-[4-(methylamino)butanoylamino]ethyl]benzamide;hydrochloride?
The IUPAC name of 4-chloro-N-[2-[4-(methylamino)butanoylamino]ethyl]benzamide;hydrochloride (CID 119703400) is 4-chloro-N-[2-[4-(methylamino)butanoylamino]ethyl]benzamide;hydrochloride.
What is the SMILES notation for 4-chloro-N-[2-[4-(methylamino)butanoylamino]ethyl]benzamide;hydrochloride?
The canonical SMILES for 4-chloro-N-[2-[4-(methylamino)butanoylamino]ethyl]benzamide;hydrochloride is CNCCCC(=O)NCCNC(=O)c1ccc(Cl)cc1.Cl.
What is the InChIKey of 4-chloro-N-[2-[4-(methylamino)butanoylamino]ethyl]benzamide;hydrochloride?
The InChIKey is PQODOVYBFFGMCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O2.ClH/c1-16-8-2-3-13(19)17-9-10-18-14(20)11-4-6-12(15)7-5-11;/h4-7,16H,2-3,8-10H2,1H3,(H,17,19)(H,18,20);1H.
What are the key properties of 4-chloro-N-[2-[4-(methylamino)butanoylamino]ethyl]benzamide;hydrochloride?
4-chloro-N-[2-[4-(methylamino)butanoylamino]ethyl]benzamide;hydrochloride has a molecular weight of 334.25 g/mol, XLogP of 1.61, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-[4-(methylamino)butanoylamino]ethyl]benzamide;hydrochloride is sourced from PubChem (CID 119703400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).