N-(3-chlorophenyl)-4-propan-2-ylbenzamide

C16H16ClNO — CID 1406456

IUPACN-(3-chlorophenyl)-4-propan-2-ylbenzamide
SMILESCC(C)c1ccc(C(=O)Nc2cccc(Cl)c2)cc1
InChIInChI=1S/C16H16ClNO/c1-11(2)12-6-8-13(9-7-12)16(19)18-15-5-3-4-14(17)10-15/h3-11H,1-2H3,(H,18,19)
InChIKeyBTVRQLDYZJCBDG-UHFFFAOYSA-N
MW273.76 g/mol
LogP4.72
Rot. Bonds3

About N-(3-chlorophenyl)-4-propan-2-ylbenzamide

N-(3-chlorophenyl)-4-propan-2-ylbenzamide (PubChem CID 1406456) has the molecular formula C16H16ClNO and a molecular weight of 273.76 g/mol. Its IUPAC name is N-(3-chlorophenyl)-4-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-4-propan-2-ylbenzamide
PubChem CID1406456
Molecular FormulaC16H16ClNO
Molecular Weight273.76 g/mol
Exact Mass273.09
IUPAC NameN-(3-chlorophenyl)-4-propan-2-ylbenzamide
SMILESCC(C)c1ccc(C(=O)Nc2cccc(Cl)c2)cc1
InChIInChI=1S/C16H16ClNO/c1-11(2)12-6-8-13(9-7-12)16(19)18-15-5-3-4-14(17)10-15/h3-11H,1-2H3,(H,18,19)
InChIKeyBTVRQLDYZJCBDG-UHFFFAOYSA-N
XLogP4.72
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.76
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3-chlorophenyl)carbamothioyl]-4-propan-2-ylbenzamide
CID 883458
N-(3-chlorophenyl)-4-propan-2-yloxybenzamide
CID 823397
N'-(3-chlorophenyl)-N-(4-propan-2-ylphenyl)oxamide
CID 44996296
4-N-(3-fluorophenyl)-1-N-(4-propan-2-ylphenyl)benzene-1,4-dicarboxamide
CID 109049826
N-(3-methoxyphenyl)-4-propan-2-ylbenzamide
CID 897049
4-propan-2-yl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 887218
N-(3-cyanophenyl)-4-propan-2-ylbenzamide
CID 2552298
4-propan-2-yl-N-(4-propan-2-ylphenyl)benzamide
CID 1406437
N-(3,4-dichlorophenyl)-4-propan-2-ylbenzamide
CID 896623
3-chloro-N-[3-[(1S)-1-hydroxyethyl]phenyl]benzamide
CID 27209859
N-(3-chlorophenyl)-4-(methylsulfamoyl)benzamide
CID 34742954
4-propan-2-yl-N-[4-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
CID 28639338

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-4-propan-2-ylbenzamide?
The IUPAC name of N-(3-chlorophenyl)-4-propan-2-ylbenzamide (CID 1406456) is N-(3-chlorophenyl)-4-propan-2-ylbenzamide.
What is the SMILES notation for N-(3-chlorophenyl)-4-propan-2-ylbenzamide?
The canonical SMILES for N-(3-chlorophenyl)-4-propan-2-ylbenzamide is CC(C)c1ccc(C(=O)Nc2cccc(Cl)c2)cc1.
What is the InChIKey of N-(3-chlorophenyl)-4-propan-2-ylbenzamide?
The InChIKey is BTVRQLDYZJCBDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO/c1-11(2)12-6-8-13(9-7-12)16(19)18-15-5-3-4-14(17)10-15/h3-11H,1-2H3,(H,18,19).
What are the key properties of N-(3-chlorophenyl)-4-propan-2-ylbenzamide?
N-(3-chlorophenyl)-4-propan-2-ylbenzamide has a molecular weight of 273.76 g/mol, XLogP of 4.72, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-4-propan-2-ylbenzamide is sourced from PubChem (CID 1406456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).