[2-(4-chloro-3-methoxybenzoyl)-4-(trifluoromethyl)phenyl]carbamic acid

C16H11ClF3NO4 — CID 174347872

IUPAC[2-(4-chloro-3-methoxybenzoyl)-4-(trifluoromethyl)phenyl]carbamic acid
SMILESCOc1cc(C(=O)c2cc(C(F)(F)F)ccc2NC(=O)O)ccc1Cl
InChIInChI=1S/C16H11ClF3NO4/c1-25-13-6-8(2-4-11(13)17)14(22)10-7-9(16(18,19)20)3-5-12(10)21-15(23)24/h2-7,21H,1H3,(H,23,24)
InChIKeyCHDYOKDWAZKTOK-UHFFFAOYSA-N
MW373.71 g/mol
LogP4.69
Rot. Bonds4

About [2-(4-chloro-3-methoxybenzoyl)-4-(trifluoromethyl)phenyl]carbamic acid

[2-(4-chloro-3-methoxybenzoyl)-4-(trifluoromethyl)phenyl]carbamic acid (PubChem CID 174347872) has the molecular formula C16H11ClF3NO4 and a molecular weight of 373.71 g/mol. Its IUPAC name is [2-(4-chloro-3-methoxybenzoyl)-4-(trifluoromethyl)phenyl]carbamic acid.

Molecular Properties

Compound Name[2-(4-chloro-3-methoxybenzoyl)-4-(trifluoromethyl)phenyl]carbamic acid
PubChem CID174347872
Molecular FormulaC16H11ClF3NO4
Molecular Weight373.71 g/mol
Exact Mass373.03
IUPAC Name[2-(4-chloro-3-methoxybenzoyl)-4-(trifluoromethyl)phenyl]carbamic acid
SMILESCOc1cc(C(=O)c2cc(C(F)(F)F)ccc2NC(=O)O)ccc1Cl
InChIInChI=1S/C16H11ClF3NO4/c1-25-13-6-8(2-4-11(13)17)14(22)10-7-9(16(18,19)20)3-5-12(10)21-15(23)24/h2-7,21H,1H3,(H,23,24)
InChIKeyCHDYOKDWAZKTOK-UHFFFAOYSA-N
XLogP4.69
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.71
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chloro-3-methoxyphenyl)-(2-methoxy-5-methylphenyl)methanone
CID 115781862
(4-chloro-3-methoxyphenyl)-(2,5-difluorophenyl)methanone
CID 79699081
(4-chloro-3-methoxyphenyl)-(2,4-difluoro-5-methylphenyl)methanone
CID 115781836
(4-chloro-3-methoxyphenyl)-(2,5-dimethylphenyl)methanone
CID 115781783
(4-chloro-3-fluorophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone
CID 107996851
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methoxybenzamide
CID 871827
1-(4-chloro-3-methoxyphenyl)-3-[4-(trifluoromethyl)phenyl]propan-1-one
CID 68768215
2-[2-chloro-5-(trifluoromethyl)anilino]-1-(3,4-dimethoxyphenyl)ethanone
CID 110824940
2-chloro-N-[4-methoxy-2-[4-(trifluoromethyl)benzoyl]phenyl]acetamide
CID 86231173
(4-chloro-2-methoxyphenyl)-[4-(trifluoromethyl)phenyl]methanone
CID 114970683
2-(4-chloro-3-methoxyphenyl)-2,2-difluoroacetic acid
CID 79712096
[2-methoxy-4-(trifluoromethyl)phenyl]-phenylmethanone
CID 82631409

Frequently Asked Questions

What is the IUPAC name of [2-(4-chloro-3-methoxybenzoyl)-4-(trifluoromethyl)phenyl]carbamic acid?
The IUPAC name of [2-(4-chloro-3-methoxybenzoyl)-4-(trifluoromethyl)phenyl]carbamic acid (CID 174347872) is [2-(4-chloro-3-methoxybenzoyl)-4-(trifluoromethyl)phenyl]carbamic acid.
What is the SMILES notation for [2-(4-chloro-3-methoxybenzoyl)-4-(trifluoromethyl)phenyl]carbamic acid?
The canonical SMILES for [2-(4-chloro-3-methoxybenzoyl)-4-(trifluoromethyl)phenyl]carbamic acid is COc1cc(C(=O)c2cc(C(F)(F)F)ccc2NC(=O)O)ccc1Cl.
What is the InChIKey of [2-(4-chloro-3-methoxybenzoyl)-4-(trifluoromethyl)phenyl]carbamic acid?
The InChIKey is CHDYOKDWAZKTOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClF3NO4/c1-25-13-6-8(2-4-11(13)17)14(22)10-7-9(16(18,19)20)3-5-12(10)21-15(23)24/h2-7,21H,1H3,(H,23,24).
What are the key properties of [2-(4-chloro-3-methoxybenzoyl)-4-(trifluoromethyl)phenyl]carbamic acid?
[2-(4-chloro-3-methoxybenzoyl)-4-(trifluoromethyl)phenyl]carbamic acid has a molecular weight of 373.71 g/mol, XLogP of 4.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chloro-3-methoxybenzoyl)-4-(trifluoromethyl)phenyl]carbamic acid is sourced from PubChem (CID 174347872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).