3-(2-chlorophenyl)-N-(2-propan-2-ylphenyl)propanamide

C18H20ClNO — CID 17179057

IUPAC3-(2-chlorophenyl)-N-(2-propan-2-ylphenyl)propanamide
SMILESCC(C)c1ccccc1NC(=O)CCc1ccccc1Cl
InChIInChI=1S/C18H20ClNO/c1-13(2)15-8-4-6-10-17(15)20-18(21)12-11-14-7-3-5-9-16(14)19/h3-10,13H,11-12H2,1-2H3,(H,20,21)
InChIKeyHTMKFCAVSRFYSB-UHFFFAOYSA-N
MW301.82 g/mol
LogP5.03
Rot. Bonds5

About 3-(2-chlorophenyl)-N-(2-propan-2-ylphenyl)propanamide

3-(2-chlorophenyl)-N-(2-propan-2-ylphenyl)propanamide (PubChem CID 17179057) has the molecular formula C18H20ClNO and a molecular weight of 301.82 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-(2-propan-2-ylphenyl)propanamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N-(2-propan-2-ylphenyl)propanamide
PubChem CID17179057
Molecular FormulaC18H20ClNO
Molecular Weight301.82 g/mol
Exact Mass301.12
IUPAC Name3-(2-chlorophenyl)-N-(2-propan-2-ylphenyl)propanamide
SMILESCC(C)c1ccccc1NC(=O)CCc1ccccc1Cl
InChIInChI=1S/C18H20ClNO/c1-13(2)15-8-4-6-10-17(15)20-18(21)12-11-14-7-3-5-9-16(14)19/h3-10,13H,11-12H2,1-2H3,(H,20,21)
InChIKeyHTMKFCAVSRFYSB-UHFFFAOYSA-N
XLogP5.03
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.82
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2-chlorophenyl)-N-(2-hydroxyphenyl)propanamide
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2-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(2-propan-2-ylphenyl)acetamide
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3-amino-N-(2-propan-2-ylphenyl)propanamide;hydrochloride
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2-[3-(2-chlorophenyl)propanoylamino]-N-ethylbenzamide
CID 17179030
3-(2-chlorophenyl)-N-[2-(difluoromethylsulfanyl)phenyl]propanamide
CID 31523997
5-chloro-N-(2-propan-2-ylphenyl)pentanamide
CID 28727835
N-(2-propan-2-ylphenyl)-3-pyridin-4-ylpropanamide
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CID 67992289

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N-(2-propan-2-ylphenyl)propanamide?
The IUPAC name of 3-(2-chlorophenyl)-N-(2-propan-2-ylphenyl)propanamide (CID 17179057) is 3-(2-chlorophenyl)-N-(2-propan-2-ylphenyl)propanamide.
What is the SMILES notation for 3-(2-chlorophenyl)-N-(2-propan-2-ylphenyl)propanamide?
The canonical SMILES for 3-(2-chlorophenyl)-N-(2-propan-2-ylphenyl)propanamide is CC(C)c1ccccc1NC(=O)CCc1ccccc1Cl.
What is the InChIKey of 3-(2-chlorophenyl)-N-(2-propan-2-ylphenyl)propanamide?
The InChIKey is HTMKFCAVSRFYSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO/c1-13(2)15-8-4-6-10-17(15)20-18(21)12-11-14-7-3-5-9-16(14)19/h3-10,13H,11-12H2,1-2H3,(H,20,21).
What are the key properties of 3-(2-chlorophenyl)-N-(2-propan-2-ylphenyl)propanamide?
3-(2-chlorophenyl)-N-(2-propan-2-ylphenyl)propanamide has a molecular weight of 301.82 g/mol, XLogP of 5.03, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-N-(2-propan-2-ylphenyl)propanamide is sourced from PubChem (CID 17179057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).