2-chloro-N-(2-fluoro-4,5-dimethoxyphenyl)-5-phenylbenzamide

C21H17ClFNO3 — CID 99087184

IUPAC2-chloro-N-(2-fluoro-4,5-dimethoxyphenyl)-5-phenylbenzamide
SMILESCOc1cc(F)c(NC(=O)c2cc(-c3ccccc3)ccc2Cl)cc1OC
InChIInChI=1S/C21H17ClFNO3/c1-26-19-11-17(23)18(12-20(19)27-2)24-21(25)15-10-14(8-9-16(15)22)13-6-4-3-5-7-13/h3-12H,1-2H3,(H,24,25)
InChIKeyQAMFWJCNTMWQNC-UHFFFAOYSA-N
MW385.82 g/mol
LogP5.42
Rot. Bonds5

About 2-chloro-N-(2-fluoro-4,5-dimethoxyphenyl)-5-phenylbenzamide

2-chloro-N-(2-fluoro-4,5-dimethoxyphenyl)-5-phenylbenzamide (PubChem CID 99087184) has the molecular formula C21H17ClFNO3 and a molecular weight of 385.82 g/mol. Its IUPAC name is 2-chloro-N-(2-fluoro-4,5-dimethoxyphenyl)-5-phenylbenzamide.

Molecular Properties

Compound Name2-chloro-N-(2-fluoro-4,5-dimethoxyphenyl)-5-phenylbenzamide
PubChem CID99087184
Molecular FormulaC21H17ClFNO3
Molecular Weight385.82 g/mol
Exact Mass385.09
IUPAC Name2-chloro-N-(2-fluoro-4,5-dimethoxyphenyl)-5-phenylbenzamide
SMILESCOc1cc(F)c(NC(=O)c2cc(-c3ccccc3)ccc2Cl)cc1OC
InChIInChI=1S/C21H17ClFNO3/c1-26-19-11-17(23)18(12-20(19)27-2)24-21(25)15-10-14(8-9-16(15)22)13-6-4-3-5-7-13/h3-12H,1-2H3,(H,24,25)
InChIKeyQAMFWJCNTMWQNC-UHFFFAOYSA-N
XLogP5.42
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.82
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-(2-fluoro-4,5-dimethoxyphenyl)benzamide
CID 56782948
N-(5-chloro-2,4-dimethoxyphenyl)-2-fluorobenzamide
CID 836294
N-(5-chloro-2-fluorophenyl)-2-methoxybenzamide
CID 8759235
2-[(2-fluorobenzoyl)amino]-4,5-dimethoxybenzoic acid
CID 707198
N-(2-hydroxy-5-phenylphenyl)-2-methoxybenzamide
CID 3265384
N-(2-chloro-4,5-dimethoxyphenyl)-2,5-difluorobenzamide
CID 18139978
2,4-dichloro-N-(4,5-dimethoxy-2-methylphenyl)-5-fluorobenzamide
CID 27669456
2-benzamido-4-(4-chloro-3-methoxyphenyl)benzoic acid
CID 174641958
2-chloro-N-(2,5-difluoro-4-methoxyphenyl)-6-fluorobenzamide
CID 122143687
N-(2-chlorophenyl)-2,4,5-trimethoxybenzamide
CID 912702
N-(2-fluoro-4,5-dimethoxyphenyl)-2-methoxy-2-phenylacetamide
CID 56782949
5-bromo-N-(2-chloro-4,5-dimethoxyphenyl)-2-fluorobenzamide
CID 30804369

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-fluoro-4,5-dimethoxyphenyl)-5-phenylbenzamide?
The IUPAC name of 2-chloro-N-(2-fluoro-4,5-dimethoxyphenyl)-5-phenylbenzamide (CID 99087184) is 2-chloro-N-(2-fluoro-4,5-dimethoxyphenyl)-5-phenylbenzamide.
What is the SMILES notation for 2-chloro-N-(2-fluoro-4,5-dimethoxyphenyl)-5-phenylbenzamide?
The canonical SMILES for 2-chloro-N-(2-fluoro-4,5-dimethoxyphenyl)-5-phenylbenzamide is COc1cc(F)c(NC(=O)c2cc(-c3ccccc3)ccc2Cl)cc1OC.
What is the InChIKey of 2-chloro-N-(2-fluoro-4,5-dimethoxyphenyl)-5-phenylbenzamide?
The InChIKey is QAMFWJCNTMWQNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClFNO3/c1-26-19-11-17(23)18(12-20(19)27-2)24-21(25)15-10-14(8-9-16(15)22)13-6-4-3-5-7-13/h3-12H,1-2H3,(H,24,25).
What are the key properties of 2-chloro-N-(2-fluoro-4,5-dimethoxyphenyl)-5-phenylbenzamide?
2-chloro-N-(2-fluoro-4,5-dimethoxyphenyl)-5-phenylbenzamide has a molecular weight of 385.82 g/mol, XLogP of 5.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-fluoro-4,5-dimethoxyphenyl)-5-phenylbenzamide is sourced from PubChem (CID 99087184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).