4-chloro-N-[4-(cyclopropylmethylamino)-4-oxobutyl]benzamide

C15H19ClN2O2 — CID 46541860

IUPAC4-chloro-N-[4-(cyclopropylmethylamino)-4-oxobutyl]benzamide
SMILESO=C(CCCNC(=O)c1ccc(Cl)cc1)NCC1CC1
InChIInChI=1S/C15H19ClN2O2/c16-13-7-5-12(6-8-13)15(20)17-9-1-2-14(19)18-10-11-3-4-11/h5-8,11H,1-4,9-10H2,(H,17,20)(H,18,19)
InChIKeyKBEUOXFAKNFWRH-UHFFFAOYSA-N
MW294.78 g/mol
LogP2.38
Rot. Bonds7

About 4-chloro-N-[4-(cyclopropylmethylamino)-4-oxobutyl]benzamide

4-chloro-N-[4-(cyclopropylmethylamino)-4-oxobutyl]benzamide (PubChem CID 46541860) has the molecular formula C15H19ClN2O2 and a molecular weight of 294.78 g/mol. Its IUPAC name is 4-chloro-N-[4-(cyclopropylmethylamino)-4-oxobutyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[4-(cyclopropylmethylamino)-4-oxobutyl]benzamide
PubChem CID46541860
Molecular FormulaC15H19ClN2O2
Molecular Weight294.78 g/mol
Exact Mass294.11
IUPAC Name4-chloro-N-[4-(cyclopropylmethylamino)-4-oxobutyl]benzamide
SMILESO=C(CCCNC(=O)c1ccc(Cl)cc1)NCC1CC1
InChIInChI=1S/C15H19ClN2O2/c16-13-7-5-12(6-8-13)15(20)17-9-1-2-14(19)18-10-11-3-4-11/h5-8,11H,1-4,9-10H2,(H,17,20)(H,18,19)
InChIKeyKBEUOXFAKNFWRH-UHFFFAOYSA-N
XLogP2.38
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.78
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-[4-[3-(cyclopropylmethoxy)propylamino]-4-oxobutyl]benzamide
CID 55410421
4-chloro-N-[[4-[(3-methoxypropylcarbamoylamino)methyl]cyclohexyl]methyl]benzamide
CID 68875804
4-chloro-N-[4-oxo-4-(pyrrolidin-3-ylamino)butyl]benzamide
CID 119451983
4-chloro-N-[4-oxo-4-(2-piperidin-3-ylethylamino)butyl]benzamide;hydrochloride
CID 119557355
4-chloro-N-[4-(ethoxyamino)-4-oxobutyl]benzamide
CID 18169010
4-chloro-N-[8-[(4-chlorobenzoyl)amino]octyl]benzamide
CID 3606775
4-chloro-N-[2-[4-(methylamino)butanoylamino]ethyl]benzamide;hydrochloride
CID 119703400
3-[4-[(4-chlorobenzoyl)amino]butanoylamino]-2-methylpropanoic acid
CID 119237285
4-chloro-N-[4-oxo-4-(2-phenoxyethylamino)butyl]benzamide
CID 26903822
N-[4-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-4-oxobutyl]-4-chlorobenzamide
CID 120658394
4-chloro-N-[3-(cyclopropylamino)propyl]benzamide
CID 43596460
4-chloro-N-(oxan-4-ylmethyl)benzamide
CID 110736386

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-(cyclopropylmethylamino)-4-oxobutyl]benzamide?
The IUPAC name of 4-chloro-N-[4-(cyclopropylmethylamino)-4-oxobutyl]benzamide (CID 46541860) is 4-chloro-N-[4-(cyclopropylmethylamino)-4-oxobutyl]benzamide.
What is the SMILES notation for 4-chloro-N-[4-(cyclopropylmethylamino)-4-oxobutyl]benzamide?
The canonical SMILES for 4-chloro-N-[4-(cyclopropylmethylamino)-4-oxobutyl]benzamide is O=C(CCCNC(=O)c1ccc(Cl)cc1)NCC1CC1.
What is the InChIKey of 4-chloro-N-[4-(cyclopropylmethylamino)-4-oxobutyl]benzamide?
The InChIKey is KBEUOXFAKNFWRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O2/c16-13-7-5-12(6-8-13)15(20)17-9-1-2-14(19)18-10-11-3-4-11/h5-8,11H,1-4,9-10H2,(H,17,20)(H,18,19).
What are the key properties of 4-chloro-N-[4-(cyclopropylmethylamino)-4-oxobutyl]benzamide?
4-chloro-N-[4-(cyclopropylmethylamino)-4-oxobutyl]benzamide has a molecular weight of 294.78 g/mol, XLogP of 2.38, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-(cyclopropylmethylamino)-4-oxobutyl]benzamide is sourced from PubChem (CID 46541860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).