4-chloro-N-[4-[methyl(2-methylpropyl)amino]-4-oxobutyl]benzamide

C16H23ClN2O2 — CID 134058645

IUPAC4-chloro-N-[4-[methyl(2-methylpropyl)amino]-4-oxobutyl]benzamide
SMILESCC(C)CN(C)C(=O)CCCNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H23ClN2O2/c1-12(2)11-19(3)15(20)5-4-10-18-16(21)13-6-8-14(17)9-7-13/h6-9,12H,4-5,10-11H2,1-3H3,(H,18,21)
InChIKeyQAACLJTWNWELLR-UHFFFAOYSA-N
MW310.82 g/mol
LogP2.96
Rot. Bonds7

About 4-chloro-N-[4-[methyl(2-methylpropyl)amino]-4-oxobutyl]benzamide

4-chloro-N-[4-[methyl(2-methylpropyl)amino]-4-oxobutyl]benzamide (PubChem CID 134058645) has the molecular formula C16H23ClN2O2 and a molecular weight of 310.82 g/mol. Its IUPAC name is 4-chloro-N-[4-[methyl(2-methylpropyl)amino]-4-oxobutyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[4-[methyl(2-methylpropyl)amino]-4-oxobutyl]benzamide
PubChem CID134058645
Molecular FormulaC16H23ClN2O2
Molecular Weight310.82 g/mol
Exact Mass310.14
IUPAC Name4-chloro-N-[4-[methyl(2-methylpropyl)amino]-4-oxobutyl]benzamide
SMILESCC(C)CN(C)C(=O)CCCNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H23ClN2O2/c1-12(2)11-19(3)15(20)5-4-10-18-16(21)13-6-8-14(17)9-7-13/h6-9,12H,4-5,10-11H2,1-3H3,(H,18,21)
InChIKeyQAACLJTWNWELLR-UHFFFAOYSA-N
XLogP2.96
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.82
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[(4-chlorobenzoyl)amino]butanoyl-(2-methylpropyl)amino]acetic acid
CID 119193162
N-[4-[(3-amino-4-methylpentyl)-methylamino]-4-oxobutyl]-4-chlorobenzamide
CID 119659439
N-[4-[benzyl(methyl)amino]-4-oxobutyl]-4-chlorobenzamide
CID 27665840
4-chloro-N-[4-[2-cyanoethyl(methyl)amino]-4-oxobutyl]benzamide
CID 78796616
4-chloro-N-[4-[[(1R)-1-(3,4-difluorophenyl)ethyl]-methylamino]-4-oxobutyl]benzamide
CID 31350252
4-chloro-N-[4-[[(1S)-1-(3,4-difluorophenyl)ethyl]-methylamino]-4-oxobutyl]benzamide
CID 31350253
4-chloro-N-[4-[methyl(naphthalen-2-ylmethyl)amino]-4-oxobutyl]benzamide
CID 27848251
4-chloro-N-[4-(ethoxyamino)-4-oxobutyl]benzamide
CID 18169010
4-chloro-N-[8-[(4-chlorobenzoyl)amino]octyl]benzamide
CID 3606775
3-[4-[(4-chlorobenzoyl)amino]butanoylamino]-2-methylpropanoic acid
CID 119237285
4-chloro-N-[4-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-4-oxobutyl]benzamide
CID 24682481
4-chloro-N-[3-[[(2R)-5-methylhexan-2-yl]amino]-3-oxopropyl]benzamide
CID 26519163

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-[methyl(2-methylpropyl)amino]-4-oxobutyl]benzamide?
The IUPAC name of 4-chloro-N-[4-[methyl(2-methylpropyl)amino]-4-oxobutyl]benzamide (CID 134058645) is 4-chloro-N-[4-[methyl(2-methylpropyl)amino]-4-oxobutyl]benzamide.
What is the SMILES notation for 4-chloro-N-[4-[methyl(2-methylpropyl)amino]-4-oxobutyl]benzamide?
The canonical SMILES for 4-chloro-N-[4-[methyl(2-methylpropyl)amino]-4-oxobutyl]benzamide is CC(C)CN(C)C(=O)CCCNC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[4-[methyl(2-methylpropyl)amino]-4-oxobutyl]benzamide?
The InChIKey is QAACLJTWNWELLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O2/c1-12(2)11-19(3)15(20)5-4-10-18-16(21)13-6-8-14(17)9-7-13/h6-9,12H,4-5,10-11H2,1-3H3,(H,18,21).
What are the key properties of 4-chloro-N-[4-[methyl(2-methylpropyl)amino]-4-oxobutyl]benzamide?
4-chloro-N-[4-[methyl(2-methylpropyl)amino]-4-oxobutyl]benzamide has a molecular weight of 310.82 g/mol, XLogP of 2.96, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-[methyl(2-methylpropyl)amino]-4-oxobutyl]benzamide is sourced from PubChem (CID 134058645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).