3-[[2-(4-chlorophenyl)acetyl]amino]-N-propan-2-ylbenzamide

C18H19ClN2O2 — CID 17197433

IUPAC3-[[2-(4-chlorophenyl)acetyl]amino]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1cccc(NC(=O)Cc2ccc(Cl)cc2)c1
InChIInChI=1S/C18H19ClN2O2/c1-12(2)20-18(23)14-4-3-5-16(11-14)21-17(22)10-13-6-8-15(19)9-7-13/h3-9,11-12H,10H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyDDPRQPOCFZNXDH-UHFFFAOYSA-N
MW330.81 g/mol
LogP3.66
Rot. Bonds5

About 3-[[2-(4-chlorophenyl)acetyl]amino]-N-propan-2-ylbenzamide

3-[[2-(4-chlorophenyl)acetyl]amino]-N-propan-2-ylbenzamide (PubChem CID 17197433) has the molecular formula C18H19ClN2O2 and a molecular weight of 330.81 g/mol. Its IUPAC name is 3-[[2-(4-chlorophenyl)acetyl]amino]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name3-[[2-(4-chlorophenyl)acetyl]amino]-N-propan-2-ylbenzamide
PubChem CID17197433
Molecular FormulaC18H19ClN2O2
Molecular Weight330.81 g/mol
Exact Mass330.11
IUPAC Name3-[[2-(4-chlorophenyl)acetyl]amino]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1cccc(NC(=O)Cc2ccc(Cl)cc2)c1
InChIInChI=1S/C18H19ClN2O2/c1-12(2)20-18(23)14-4-3-5-16(11-14)21-17(22)10-13-6-8-15(19)9-7-13/h3-9,11-12H,10H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyDDPRQPOCFZNXDH-UHFFFAOYSA-N
XLogP3.66
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.81
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[2-(4-chlorophenyl)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 43877795
3-[[2-(4-chlorophenyl)acetyl]amino]-N-(2-methylpropyl)benzamide
CID 879496
3-[[2-(4-chlorophenoxy)acetyl]amino]-N-propan-2-ylbenzamide
CID 17197376
3-[[2-(4-chlorophenyl)acetyl]amino]-N-ethylbenzamide
CID 17230707
3-[(4-chlorophenyl)carbamoylamino]-N-propan-2-ylbenzamide
CID 17197361
3-[[2-(4-chlorophenyl)acetyl]amino]-N-(3-methylphenyl)benzamide
CID 1234677
3-[[2-(3,5-dichloroanilino)acetyl]amino]-N-propan-2-ylbenzamide
CID 54813153
3-[[2-(4-chlorophenyl)acetyl]amino]-N,N-dimethylbenzamide
CID 17231829
N-propan-2-yl-3-[(2-propan-2-yloxyacetyl)amino]benzamide
CID 47412911
3-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]-N-propan-2-ylbenzamide
CID 17197560
3-[[2-(4-methoxyphenyl)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 43877752
3-[(4-amino-3-methylbutanoyl)amino]-N-propan-2-ylbenzamide
CID 81075273

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-chlorophenyl)acetyl]amino]-N-propan-2-ylbenzamide?
The IUPAC name of 3-[[2-(4-chlorophenyl)acetyl]amino]-N-propan-2-ylbenzamide (CID 17197433) is 3-[[2-(4-chlorophenyl)acetyl]amino]-N-propan-2-ylbenzamide.
What is the SMILES notation for 3-[[2-(4-chlorophenyl)acetyl]amino]-N-propan-2-ylbenzamide?
The canonical SMILES for 3-[[2-(4-chlorophenyl)acetyl]amino]-N-propan-2-ylbenzamide is CC(C)NC(=O)c1cccc(NC(=O)Cc2ccc(Cl)cc2)c1.
What is the InChIKey of 3-[[2-(4-chlorophenyl)acetyl]amino]-N-propan-2-ylbenzamide?
The InChIKey is DDPRQPOCFZNXDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O2/c1-12(2)20-18(23)14-4-3-5-16(11-14)21-17(22)10-13-6-8-15(19)9-7-13/h3-9,11-12H,10H2,1-2H3,(H,20,23)(H,21,22).
What are the key properties of 3-[[2-(4-chlorophenyl)acetyl]amino]-N-propan-2-ylbenzamide?
3-[[2-(4-chlorophenyl)acetyl]amino]-N-propan-2-ylbenzamide has a molecular weight of 330.81 g/mol, XLogP of 3.66, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-chlorophenyl)acetyl]amino]-N-propan-2-ylbenzamide is sourced from PubChem (CID 17197433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).