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

C16H16ClNO2 — CID 823397

IUPACN-(3-chlorophenyl)-4-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(C(=O)Nc2cccc(Cl)c2)cc1
InChIInChI=1S/C16H16ClNO2/c1-11(2)20-15-8-6-12(7-9-15)16(19)18-14-5-3-4-13(17)10-14/h3-11H,1-2H3,(H,18,19)
InChIKeyRWNQQLZKZPKMQG-UHFFFAOYSA-N
MW289.76 g/mol
LogP4.38
Rot. Bonds4

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

N-(3-chlorophenyl)-4-propan-2-yloxybenzamide (PubChem CID 823397) has the molecular formula C16H16ClNO2 and a molecular weight of 289.76 g/mol. Its IUPAC name is N-(3-chlorophenyl)-4-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-4-propan-2-yloxybenzamide
PubChem CID823397
Molecular FormulaC16H16ClNO2
Molecular Weight289.76 g/mol
Exact Mass289.09
IUPAC NameN-(3-chlorophenyl)-4-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(C(=O)Nc2cccc(Cl)c2)cc1
InChIInChI=1S/C16H16ClNO2/c1-11(2)20-15-8-6-12(7-9-15)16(19)18-14-5-3-4-13(17)10-14/h3-11H,1-2H3,(H,18,19)
InChIKeyRWNQQLZKZPKMQG-UHFFFAOYSA-N
XLogP4.38
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.76
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-propan-2-yloxy-N-(3-propan-2-yloxyphenyl)benzamide
CID 17154760
N-(3-chlorophenyl)-4-propan-2-ylbenzamide
CID 1406456
N-[4-[(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl]oxyphenyl]benzamide
CID 9252923
N-(3-chlorophenyl)-5-(4-propan-2-yloxyanilino)pyridine-3-carboxamide
CID 109244480
N-[3-[(1S)-1-hydroxyethyl]phenyl]-4-propan-2-yloxybenzamide
CID 100803572
N-(3-chlorophenyl)-4-[(2S)-1-[(6-chloro-3-pyridinyl)amino]-1-oxopropan-2-yl]oxybenzamide
CID 156704863
N-(3-chlorophenyl)-4-propoxybenzamide
CID 4938336
4-propan-2-yloxy-N-[3-(trifluoromethyl)phenyl]benzamide
CID 806811
N-(3-ethynylphenyl)-4-propan-2-yloxybenzamide
CID 24676247
4-methyl-N-(3-propan-2-yloxyphenyl)benzamide
CID 2989293
4-chloro-N-[3-[1-(3-chlorophenyl)-1-oxopropan-2-yl]oxyphenyl]benzamide
CID 19645135
4-bromo-N-(3-propan-2-yloxyphenyl)benzamide
CID 54791087

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-4-propan-2-yloxybenzamide?
The IUPAC name of N-(3-chlorophenyl)-4-propan-2-yloxybenzamide (CID 823397) is N-(3-chlorophenyl)-4-propan-2-yloxybenzamide.
What is the SMILES notation for N-(3-chlorophenyl)-4-propan-2-yloxybenzamide?
The canonical SMILES for N-(3-chlorophenyl)-4-propan-2-yloxybenzamide is CC(C)Oc1ccc(C(=O)Nc2cccc(Cl)c2)cc1.
What is the InChIKey of N-(3-chlorophenyl)-4-propan-2-yloxybenzamide?
The InChIKey is RWNQQLZKZPKMQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO2/c1-11(2)20-15-8-6-12(7-9-15)16(19)18-14-5-3-4-13(17)10-14/h3-11H,1-2H3,(H,18,19).
What are the key properties of N-(3-chlorophenyl)-4-propan-2-yloxybenzamide?
N-(3-chlorophenyl)-4-propan-2-yloxybenzamide has a molecular weight of 289.76 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-4-propan-2-yloxybenzamide is sourced from PubChem (CID 823397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).