4-chloro-3-(4-phenylbutanoylamino)-N-propan-2-ylbenzamide

C20H23ClN2O2 — CID 60532091

IUPAC4-chloro-3-(4-phenylbutanoylamino)-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccc(Cl)c(NC(=O)CCCc2ccccc2)c1
InChIInChI=1S/C20H23ClN2O2/c1-14(2)22-20(25)16-11-12-17(21)18(13-16)23-19(24)10-6-9-15-7-4-3-5-8-15/h3-5,7-8,11-14H,6,9-10H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyRJRRJMQFRDDEGK-UHFFFAOYSA-N
MW358.87 g/mol
LogP4.44
Rot. Bonds7

About 4-chloro-3-(4-phenylbutanoylamino)-N-propan-2-ylbenzamide

4-chloro-3-(4-phenylbutanoylamino)-N-propan-2-ylbenzamide (PubChem CID 60532091) has the molecular formula C20H23ClN2O2 and a molecular weight of 358.87 g/mol. Its IUPAC name is 4-chloro-3-(4-phenylbutanoylamino)-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-chloro-3-(4-phenylbutanoylamino)-N-propan-2-ylbenzamide
PubChem CID60532091
Molecular FormulaC20H23ClN2O2
Molecular Weight358.87 g/mol
Exact Mass358.14
IUPAC Name4-chloro-3-(4-phenylbutanoylamino)-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccc(Cl)c(NC(=O)CCCc2ccccc2)c1
InChIInChI=1S/C20H23ClN2O2/c1-14(2)22-20(25)16-11-12-17(21)18(13-16)23-19(24)10-6-9-15-7-4-3-5-8-15/h3-5,7-8,11-14H,6,9-10H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyRJRRJMQFRDDEGK-UHFFFAOYSA-N
XLogP4.44
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[5-(4-bromophenyl)pentanoylamino]-4-chloro-N-propan-2-ylbenzamide
CID 55895332
4-chloro-3-[[2-(2-fluorophenyl)acetyl]amino]-N-propan-2-ylbenzamide
CID 47049795
4-chloro-3-[3-(3,5-dimethylphenoxy)propanoylamino]-N-propan-2-ylbenzamide
CID 52662482
4-chloro-3-[3-[(2-methylcyclopropanecarbonyl)amino]propanoylamino]-N-propan-2-ylbenzamide
CID 47062886
1-benzyl-5-chloro-N-[2-chloro-5-(propan-2-ylcarbamoyl)phenyl]-3-methylpyrazole-4-carboxamide
CID 55817240
methyl 4-chloro-3-[(5-oxo-5-phenylpentanoyl)amino]benzoate
CID 110356123
methyl 4-chloro-3-[4-(propan-2-ylamino)butanoylamino]benzoate
CID 60849231
methyl 4-chloro-3-[(2-phenylacetyl)amino]benzoate
CID 956278
N-(5-acetyl-2-chlorophenyl)-5-oxo-5-phenylpentanamide
CID 108807598
3-(5-aminohexanoylamino)-4-chlorobenzoic acid
CID 82852012
4-methoxy-3-(4-phenylbutanoylamino)benzamide
CID 166190408
methyl 4-chloro-3-[[2-(2-phenylethylamino)acetyl]amino]benzoate
CID 108999940

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(4-phenylbutanoylamino)-N-propan-2-ylbenzamide?
The IUPAC name of 4-chloro-3-(4-phenylbutanoylamino)-N-propan-2-ylbenzamide (CID 60532091) is 4-chloro-3-(4-phenylbutanoylamino)-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-chloro-3-(4-phenylbutanoylamino)-N-propan-2-ylbenzamide?
The canonical SMILES for 4-chloro-3-(4-phenylbutanoylamino)-N-propan-2-ylbenzamide is CC(C)NC(=O)c1ccc(Cl)c(NC(=O)CCCc2ccccc2)c1.
What is the InChIKey of 4-chloro-3-(4-phenylbutanoylamino)-N-propan-2-ylbenzamide?
The InChIKey is RJRRJMQFRDDEGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O2/c1-14(2)22-20(25)16-11-12-17(21)18(13-16)23-19(24)10-6-9-15-7-4-3-5-8-15/h3-5,7-8,11-14H,6,9-10H2,1-2H3,(H,22,25)(H,23,24).
What are the key properties of 4-chloro-3-(4-phenylbutanoylamino)-N-propan-2-ylbenzamide?
4-chloro-3-(4-phenylbutanoylamino)-N-propan-2-ylbenzamide has a molecular weight of 358.87 g/mol, XLogP of 4.44, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(4-phenylbutanoylamino)-N-propan-2-ylbenzamide is sourced from PubChem (CID 60532091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).