N-(3-chloro-4-methoxyphenyl)-4-ethylbenzamide

C16H16ClNO2 — CID 2540642

IUPACN-(3-chloro-4-methoxyphenyl)-4-ethylbenzamide
SMILESCCc1ccc(C(=O)Nc2ccc(OC)c(Cl)c2)cc1
InChIInChI=1S/C16H16ClNO2/c1-3-11-4-6-12(7-5-11)16(19)18-13-8-9-15(20-2)14(17)10-13/h4-10H,3H2,1-2H3,(H,18,19)
InChIKeyXIEAXOQVYJYQPG-UHFFFAOYSA-N
MW289.76 g/mol
LogP4.16
Rot. Bonds4

About N-(3-chloro-4-methoxyphenyl)-4-ethylbenzamide

N-(3-chloro-4-methoxyphenyl)-4-ethylbenzamide (PubChem CID 2540642) has the molecular formula C16H16ClNO2 and a molecular weight of 289.76 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-4-ethylbenzamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-4-ethylbenzamide
PubChem CID2540642
Molecular FormulaC16H16ClNO2
Molecular Weight289.76 g/mol
Exact Mass289.09
IUPAC NameN-(3-chloro-4-methoxyphenyl)-4-ethylbenzamide
SMILESCCc1ccc(C(=O)Nc2ccc(OC)c(Cl)c2)cc1
InChIInChI=1S/C16H16ClNO2/c1-3-11-4-6-12(7-5-11)16(19)18-13-8-9-15(20-2)14(17)10-13/h4-10H,3H2,1-2H3,(H,18,19)
InChIKeyXIEAXOQVYJYQPG-UHFFFAOYSA-N
XLogP4.16
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 ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-4-[1-(4-ethylanilino)-1-oxopropan-2-yl]oxybenzamide
CID 2968265
N-(3-amino-4-methoxyphenyl)-4-ethylbenzamide
CID 43599944
N-(3-chloro-4-methoxyphenyl)-3,4-dimethoxybenzamide
CID 795184
N-(3-chloro-4-methoxyphenyl)-4-propan-2-ylbenzamide
CID 1406499
5-(3-chloro-4-methoxyanilino)-N-(4-ethylphenyl)pyridine-3-carboxamide
CID 109243447
4-N-(3-chloro-4-methoxyphenyl)-1-N-(2-methylpropyl)benzene-1,4-dicarboxamide
CID 109043950
4-butan-2-yloxy-N-(3-chloro-4-methoxyphenyl)benzamide
CID 17141302
N-(3-chloro-4-methoxyphenyl)-4-(imidazol-1-ylmethyl)benzamide
CID 43922042
4-N-(3-chloro-4-methoxyphenyl)-1-N-cyclopropylbenzene-1,4-dicarboxamide
CID 109043380
N-(3-chloro-4-methoxyphenyl)-3-(ethoxymethyl)-4-methoxybenzamide
CID 36843513
4-bromo-3-chloro-N-(3-chloro-4-methoxyphenyl)benzamide
CID 81307448
4-[[[amino-(3-chloro-4-methoxyanilino)methylidene]amino]methyl]-N-methylbenzamide
CID 111048438

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-4-ethylbenzamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-4-ethylbenzamide (CID 2540642) is N-(3-chloro-4-methoxyphenyl)-4-ethylbenzamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-4-ethylbenzamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-4-ethylbenzamide is CCc1ccc(C(=O)Nc2ccc(OC)c(Cl)c2)cc1.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-4-ethylbenzamide?
The InChIKey is XIEAXOQVYJYQPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO2/c1-3-11-4-6-12(7-5-11)16(19)18-13-8-9-15(20-2)14(17)10-13/h4-10H,3H2,1-2H3,(H,18,19).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-4-ethylbenzamide?
N-(3-chloro-4-methoxyphenyl)-4-ethylbenzamide has a molecular weight of 289.76 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-4-ethylbenzamide is sourced from PubChem (CID 2540642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).