N-(3-chlorophenyl)-4-propoxybenzamide

C16H16ClNO2 — CID 4938336

IUPACN-(3-chlorophenyl)-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)Nc2cccc(Cl)c2)cc1
InChIInChI=1S/C16H16ClNO2/c1-2-10-20-15-8-6-12(7-9-15)16(19)18-14-5-3-4-13(17)11-14/h3-9,11H,2,10H2,1H3,(H,18,19)
InChIKeyMSIPCXVJSCRECK-UHFFFAOYSA-N
MW289.76 g/mol
LogP4.38
Rot. Bonds5

About N-(3-chlorophenyl)-4-propoxybenzamide

N-(3-chlorophenyl)-4-propoxybenzamide (PubChem CID 4938336) has the molecular formula C16H16ClNO2 and a molecular weight of 289.76 g/mol. Its IUPAC name is N-(3-chlorophenyl)-4-propoxybenzamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-4-propoxybenzamide
PubChem CID4938336
Molecular FormulaC16H16ClNO2
Molecular Weight289.76 g/mol
Exact Mass289.09
IUPAC NameN-(3-chlorophenyl)-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)Nc2cccc(Cl)c2)cc1
InChIInChI=1S/C16H16ClNO2/c1-2-10-20-15-8-6-12(7-9-15)16(19)18-14-5-3-4-13(17)11-14/h3-9,11H,2,10H2,1H3,(H,18,19)
InChIKeyMSIPCXVJSCRECK-UHFFFAOYSA-N
XLogP4.38
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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

N-(3-chlorophenyl)-4-pentoxybenzamide
CID 4934948
N-[3-(2-phenoxyethoxy)phenyl]-4-propoxybenzamide
CID 17123567
N-(3,4-dichlorophenyl)-4-propoxybenzamide
CID 4938387
1-(3-chlorophenyl)-3-(3-propoxyphenyl)urea
CID 17096715
N-[3-(2-ethoxyethoxy)phenyl]-4-propoxybenzamide
CID 19628765
N-[4-[(3-chlorobenzoyl)amino]phenyl]-3-propoxybenzamide
CID 2289371
N-[3-(hexanoylamino)phenyl]-4-propoxybenzamide
CID 26161290
N-(3-chlorophenyl)-4-propan-2-yloxybenzamide
CID 823397
4-propan-2-yloxy-N-(3-propoxyphenyl)benzamide
CID 17096762
N-(3-phenylmethoxyphenyl)-4-propoxybenzamide
CID 17086082
N-(3,5-dichlorophenyl)-4-hexoxybenzamide
CID 4933557
4-butoxy-N-(3-hexoxyphenyl)benzamide
CID 17094812

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-4-propoxybenzamide?
The IUPAC name of N-(3-chlorophenyl)-4-propoxybenzamide (CID 4938336) is N-(3-chlorophenyl)-4-propoxybenzamide.
What is the SMILES notation for N-(3-chlorophenyl)-4-propoxybenzamide?
The canonical SMILES for N-(3-chlorophenyl)-4-propoxybenzamide is CCCOc1ccc(C(=O)Nc2cccc(Cl)c2)cc1.
What is the InChIKey of N-(3-chlorophenyl)-4-propoxybenzamide?
The InChIKey is MSIPCXVJSCRECK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO2/c1-2-10-20-15-8-6-12(7-9-15)16(19)18-14-5-3-4-13(17)11-14/h3-9,11H,2,10H2,1H3,(H,18,19).
What are the key properties of N-(3-chlorophenyl)-4-propoxybenzamide?
N-(3-chlorophenyl)-4-propoxybenzamide has a molecular weight of 289.76 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-4-propoxybenzamide is sourced from PubChem (CID 4938336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).