[3-chloro-4-(4-chloro-2-methylbenzoyl)phenyl]-(4-fluoro-2-methylphenyl)carbamic acid

C22H16Cl2FNO3 — CID 91484056

IUPAC[3-chloro-4-(4-chloro-2-methylbenzoyl)phenyl]-(4-fluoro-2-methylphenyl)carbamic acid
SMILESCc1cc(Cl)ccc1C(=O)c1ccc(N(C(=O)O)c2ccc(F)cc2C)cc1Cl
InChIInChI=1S/C22H16Cl2FNO3/c1-12-9-14(23)3-6-17(12)21(27)18-7-5-16(11-19(18)24)26(22(28)29)20-8-4-15(25)10-13(20)2/h3-11H,1-2H3,(H,28,29)
InChIKeyJWYQXRGBFQPXTO-UHFFFAOYSA-N
MW432.28 g/mol
LogP6.80
Rot. Bonds4

About [3-chloro-4-(4-chloro-2-methylbenzoyl)phenyl]-(4-fluoro-2-methylphenyl)carbamic acid

[3-chloro-4-(4-chloro-2-methylbenzoyl)phenyl]-(4-fluoro-2-methylphenyl)carbamic acid (PubChem CID 91484056) has the molecular formula C22H16Cl2FNO3 and a molecular weight of 432.28 g/mol. Its IUPAC name is [3-chloro-4-(4-chloro-2-methylbenzoyl)phenyl]-(4-fluoro-2-methylphenyl)carbamic acid.

Molecular Properties

Compound Name[3-chloro-4-(4-chloro-2-methylbenzoyl)phenyl]-(4-fluoro-2-methylphenyl)carbamic acid
PubChem CID91484056
Molecular FormulaC22H16Cl2FNO3
Molecular Weight432.28 g/mol
Exact Mass431.05
IUPAC Name[3-chloro-4-(4-chloro-2-methylbenzoyl)phenyl]-(4-fluoro-2-methylphenyl)carbamic acid
SMILESCc1cc(Cl)ccc1C(=O)c1ccc(N(C(=O)O)c2ccc(F)cc2C)cc1Cl
InChIInChI=1S/C22H16Cl2FNO3/c1-12-9-14(23)3-6-17(12)21(27)18-7-5-16(11-19(18)24)26(22(28)29)20-8-4-15(25)10-13(20)2/h3-11H,1-2H3,(H,28,29)
InChIKeyJWYQXRGBFQPXTO-UHFFFAOYSA-N
XLogP6.80
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.28
LogP ≤ 56.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[[3-chloro-4-(4-chloro-2-methylbenzoyl)phenyl]-(4-fluoro-2-methylphenyl)carbamoyl]oxymethyl 3-methylbutanoate
CID 10007605
(2-chloro-4-fluorophenyl)-(4-chloro-2-methylphenyl)methanone
CID 146005847
(4-chloro-2-fluorophenyl)-(4-fluoro-2-methylphenyl)methanone
CID 55181742
(4-amino-2-chlorophenyl)-(4-fluoro-2-methylphenyl)methanone
CID 18618724
[[3-chloro-4-(2-methylbenzoyl)phenyl]-(4-fluoro-2-methylphenyl)carbamoyl]oxymethyl (E)-pent-3-enoate
CID 10255750
[[3-chloro-4-(2-methylbenzoyl)phenyl]-(4-fluoro-2-methylphenyl)carbamoyl]oxymethyl 2-cyclopropylacetate
CID 10458993
(2-chloro-4-methoxyphenyl)-(4-fluoro-2-methylphenyl)methanone
CID 113399945
(2,4-dichlorophenyl)-(2,4-difluorophenyl)methanone
CID 43159987
(5-chloro-2-methoxyphenyl)-(4-fluoro-2-methylphenyl)methanone
CID 81274056
(4-chlorophenyl)-(2-methylphenyl)carbamic acid
CID 57361807
(4-fluoro-2-methylphenyl)-(2,4,5-trimethylphenyl)methanone
CID 81273528
(4-bromo-2-methylphenyl)-(2,4-dichlorophenyl)methanone
CID 63492688

Frequently Asked Questions

What is the IUPAC name of [3-chloro-4-(4-chloro-2-methylbenzoyl)phenyl]-(4-fluoro-2-methylphenyl)carbamic acid?
The IUPAC name of [3-chloro-4-(4-chloro-2-methylbenzoyl)phenyl]-(4-fluoro-2-methylphenyl)carbamic acid (CID 91484056) is [3-chloro-4-(4-chloro-2-methylbenzoyl)phenyl]-(4-fluoro-2-methylphenyl)carbamic acid.
What is the SMILES notation for [3-chloro-4-(4-chloro-2-methylbenzoyl)phenyl]-(4-fluoro-2-methylphenyl)carbamic acid?
The canonical SMILES for [3-chloro-4-(4-chloro-2-methylbenzoyl)phenyl]-(4-fluoro-2-methylphenyl)carbamic acid is Cc1cc(Cl)ccc1C(=O)c1ccc(N(C(=O)O)c2ccc(F)cc2C)cc1Cl.
What is the InChIKey of [3-chloro-4-(4-chloro-2-methylbenzoyl)phenyl]-(4-fluoro-2-methylphenyl)carbamic acid?
The InChIKey is JWYQXRGBFQPXTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16Cl2FNO3/c1-12-9-14(23)3-6-17(12)21(27)18-7-5-16(11-19(18)24)26(22(28)29)20-8-4-15(25)10-13(20)2/h3-11H,1-2H3,(H,28,29).
What are the key properties of [3-chloro-4-(4-chloro-2-methylbenzoyl)phenyl]-(4-fluoro-2-methylphenyl)carbamic acid?
[3-chloro-4-(4-chloro-2-methylbenzoyl)phenyl]-(4-fluoro-2-methylphenyl)carbamic acid has a molecular weight of 432.28 g/mol, XLogP of 6.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-4-(4-chloro-2-methylbenzoyl)phenyl]-(4-fluoro-2-methylphenyl)carbamic acid is sourced from PubChem (CID 91484056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).