3-chloro-N-(3-hexoxyphenyl)benzamide

C19H22ClNO2 — CID 17094792

IUPAC3-chloro-N-(3-hexoxyphenyl)benzamide
SMILESCCCCCCOc1cccc(NC(=O)c2cccc(Cl)c2)c1
InChIInChI=1S/C19H22ClNO2/c1-2-3-4-5-12-23-18-11-7-10-17(14-18)21-19(22)15-8-6-9-16(20)13-15/h6-11,13-14H,2-5,12H2,1H3,(H,21,22)
InChIKeyQMXMJSQPCSJIFH-UHFFFAOYSA-N
MW331.84 g/mol
LogP5.55
Rot. Bonds8

About 3-chloro-N-(3-hexoxyphenyl)benzamide

3-chloro-N-(3-hexoxyphenyl)benzamide (PubChem CID 17094792) has the molecular formula C19H22ClNO2 and a molecular weight of 331.84 g/mol. Its IUPAC name is 3-chloro-N-(3-hexoxyphenyl)benzamide.

Molecular Properties

Compound Name3-chloro-N-(3-hexoxyphenyl)benzamide
PubChem CID17094792
Molecular FormulaC19H22ClNO2
Molecular Weight331.84 g/mol
Exact Mass331.13
IUPAC Name3-chloro-N-(3-hexoxyphenyl)benzamide
SMILESCCCCCCOc1cccc(NC(=O)c2cccc(Cl)c2)c1
InChIInChI=1S/C19H22ClNO2/c1-2-3-4-5-12-23-18-11-7-10-17(14-18)21-19(22)15-8-6-9-16(20)13-15/h6-11,13-14H,2-5,12H2,1H3,(H,21,22)
InChIKeyQMXMJSQPCSJIFH-UHFFFAOYSA-N
XLogP5.55
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.84
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-chloro-N-[(3-hexoxyphenyl)carbamothioyl]benzamide
CID 17094914
1-N,4-N-bis(3-hexoxyphenyl)benzene-1,4-dicarboxamide
CID 17094971
N-(3-chlorophenyl)-4-pentoxybenzamide
CID 4934948
4-butoxy-N-(3-hexoxyphenyl)benzamide
CID 17094812
N-[4-[(3-chlorobenzoyl)amino]phenyl]-3-propoxybenzamide
CID 2289371
N-(3-heptoxyphenyl)-4-methylbenzamide
CID 17138098
3-butoxy-N-(4-heptoxyphenyl)benzamide
CID 4956588
3-butoxy-N-(3-ethoxyphenyl)benzamide
CID 17098184
N-(3-heptoxyphenyl)-4-propan-2-ylbenzamide
CID 17177482
4-hexoxy-N-[3-(2-phenoxyethoxy)phenyl]benzamide
CID 17123562
4-hydroxy-N-(3-pentoxyphenyl)benzamide
CID 54418426
2-(3-chloroanilino)-N-(3-heptoxyphenyl)acetamide
CID 54809292

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(3-hexoxyphenyl)benzamide?
The IUPAC name of 3-chloro-N-(3-hexoxyphenyl)benzamide (CID 17094792) is 3-chloro-N-(3-hexoxyphenyl)benzamide.
What is the SMILES notation for 3-chloro-N-(3-hexoxyphenyl)benzamide?
The canonical SMILES for 3-chloro-N-(3-hexoxyphenyl)benzamide is CCCCCCOc1cccc(NC(=O)c2cccc(Cl)c2)c1.
What is the InChIKey of 3-chloro-N-(3-hexoxyphenyl)benzamide?
The InChIKey is QMXMJSQPCSJIFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO2/c1-2-3-4-5-12-23-18-11-7-10-17(14-18)21-19(22)15-8-6-9-16(20)13-15/h6-11,13-14H,2-5,12H2,1H3,(H,21,22).
What are the key properties of 3-chloro-N-(3-hexoxyphenyl)benzamide?
3-chloro-N-(3-hexoxyphenyl)benzamide has a molecular weight of 331.84 g/mol, XLogP of 5.55, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(3-hexoxyphenyl)benzamide is sourced from PubChem (CID 17094792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).