3-chloro-N-[4-(2-hydroxyethoxy)phenyl]-4-methylbenzamide

C16H16ClNO3 — CID 111116205

IUPAC3-chloro-N-[4-(2-hydroxyethoxy)phenyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(OCCO)cc2)cc1Cl
InChIInChI=1S/C16H16ClNO3/c1-11-2-3-12(10-15(11)17)16(20)18-13-4-6-14(7-5-13)21-9-8-19/h2-7,10,19H,8-9H2,1H3,(H,18,20)
InChIKeyPPXFBXWMQUKBNA-UHFFFAOYSA-N
MW305.76 g/mol
LogP3.27
Rot. Bonds5

About 3-chloro-N-[4-(2-hydroxyethoxy)phenyl]-4-methylbenzamide

3-chloro-N-[4-(2-hydroxyethoxy)phenyl]-4-methylbenzamide (PubChem CID 111116205) has the molecular formula C16H16ClNO3 and a molecular weight of 305.76 g/mol. Its IUPAC name is 3-chloro-N-[4-(2-hydroxyethoxy)phenyl]-4-methylbenzamide.

Molecular Properties

Compound Name3-chloro-N-[4-(2-hydroxyethoxy)phenyl]-4-methylbenzamide
PubChem CID111116205
Molecular FormulaC16H16ClNO3
Molecular Weight305.76 g/mol
Exact Mass305.08
IUPAC Name3-chloro-N-[4-(2-hydroxyethoxy)phenyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(OCCO)cc2)cc1Cl
InChIInChI=1S/C16H16ClNO3/c1-11-2-3-12(10-15(11)17)16(20)18-13-4-6-14(7-5-13)21-9-8-19/h2-7,10,19H,8-9H2,1H3,(H,18,20)
InChIKeyPPXFBXWMQUKBNA-UHFFFAOYSA-N
XLogP3.27
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.76
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[4-[3-(dimethylamino)propoxy]phenyl]-4-methylbenzamide
CID 86898203
4-[(3-chloro-4-methylbenzoyl)amino]benzoic acid
CID 28914625
4-tert-butyl-N-[4-(2-hydroxyethoxy)phenyl]benzamide
CID 14698589
N-[4-(2-hydroxyethoxy)phenyl]-6-methylpyridine-3-carboxamide
CID 111113144
2,4-dichloro-N-[4-(2-hydroxyethoxy)phenyl]benzamide
CID 111116219
3,4,5-trifluoro-N-[4-(2-hydroxyethoxy)phenyl]benzamide
CID 111116250
N-[4-(2-hydroxyethoxy)phenyl]-2-methylbenzamide
CID 111116241
4-[(3-chloro-4-methylbenzoyl)amino]benzenesulfonyl chloride
CID 63195185
4-(2-methoxyethoxy)-N-[4-(2-methoxyethoxy)phenyl]benzamide
CID 15943272
4-butoxy-N-(3-chloro-4-methylphenyl)-3-methoxybenzamide
CID 2187837
2,4-dichloro-5-fluoro-N-[4-(2-hydroxyethoxy)phenyl]benzamide
CID 111116203
4-N-(3-chloro-4-methylphenyl)-2-N-(4-methoxyphenyl)pyridine-2,4-dicarboxamide
CID 109092947

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[4-(2-hydroxyethoxy)phenyl]-4-methylbenzamide?
The IUPAC name of 3-chloro-N-[4-(2-hydroxyethoxy)phenyl]-4-methylbenzamide (CID 111116205) is 3-chloro-N-[4-(2-hydroxyethoxy)phenyl]-4-methylbenzamide.
What is the SMILES notation for 3-chloro-N-[4-(2-hydroxyethoxy)phenyl]-4-methylbenzamide?
The canonical SMILES for 3-chloro-N-[4-(2-hydroxyethoxy)phenyl]-4-methylbenzamide is Cc1ccc(C(=O)Nc2ccc(OCCO)cc2)cc1Cl.
What is the InChIKey of 3-chloro-N-[4-(2-hydroxyethoxy)phenyl]-4-methylbenzamide?
The InChIKey is PPXFBXWMQUKBNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO3/c1-11-2-3-12(10-15(11)17)16(20)18-13-4-6-14(7-5-13)21-9-8-19/h2-7,10,19H,8-9H2,1H3,(H,18,20).
What are the key properties of 3-chloro-N-[4-(2-hydroxyethoxy)phenyl]-4-methylbenzamide?
3-chloro-N-[4-(2-hydroxyethoxy)phenyl]-4-methylbenzamide has a molecular weight of 305.76 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[4-(2-hydroxyethoxy)phenyl]-4-methylbenzamide is sourced from PubChem (CID 111116205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).