(4-chloro-3,5-dimethylphenyl)-(3-chlorophenyl)carbamic acid

C15H13Cl2NO2 — CID 57361905

IUPAC(4-chloro-3,5-dimethylphenyl)-(3-chlorophenyl)carbamic acid
SMILESCc1cc(N(C(=O)O)c2cccc(Cl)c2)cc(C)c1Cl
InChIInChI=1S/C15H13Cl2NO2/c1-9-6-13(7-10(2)14(9)17)18(15(19)20)12-5-3-4-11(16)8-12/h3-8H,1-2H3,(H,19,20)
InChIKeyQPPPVHRCMUSILA-UHFFFAOYSA-N
MW310.18 g/mol
LogP5.43
Rot. Bonds2

About (4-chloro-3,5-dimethylphenyl)-(3-chlorophenyl)carbamic acid

(4-chloro-3,5-dimethylphenyl)-(3-chlorophenyl)carbamic acid (PubChem CID 57361905) has the molecular formula C15H13Cl2NO2 and a molecular weight of 310.18 g/mol. Its IUPAC name is (4-chloro-3,5-dimethylphenyl)-(3-chlorophenyl)carbamic acid.

Molecular Properties

Compound Name(4-chloro-3,5-dimethylphenyl)-(3-chlorophenyl)carbamic acid
PubChem CID57361905
Molecular FormulaC15H13Cl2NO2
Molecular Weight310.18 g/mol
Exact Mass309.03
IUPAC Name(4-chloro-3,5-dimethylphenyl)-(3-chlorophenyl)carbamic acid
SMILESCc1cc(N(C(=O)O)c2cccc(Cl)c2)cc(C)c1Cl
InChIInChI=1S/C15H13Cl2NO2/c1-9-6-13(7-10(2)14(9)17)18(15(19)20)12-5-3-4-11(16)8-12/h3-8H,1-2H3,(H,19,20)
InChIKeyQPPPVHRCMUSILA-UHFFFAOYSA-N
XLogP5.43
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.18
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[4-Chloro-3-(trifluoromethyl)phenyl]-phenylcarbamic acid
CID 66589336
[3-Chloro-4-(trifluoromethyl)phenyl]-phenylcarbamic acid
CID 67220486
Tert-butyl-[4-chloro-3-(trifluoromethyl)phenyl]carbamic acid
CID 67429100
(5-Chloro-2-fluoro-4-methylphenyl)-phenylcarbamic acid
CID 170319571
N-(2-chloro-4,5-difluorophenyl)-N-(3,5-dimethylphenyl)carbamate
CID 57374336
(2-Chloro-4,5-difluorophenyl)-(3,5-dimethylphenyl)carbamic acid
CID 57374337
(4-Chloro-5-methyl-2-propan-2-ylphenyl)-(4-fluorophenyl)carbamic acid
CID 73012751
N-tert-butyl-N-[4-chloro-3-(trifluoromethyl)phenyl]carbamate
CID 86609498
[4-Chloro-3-(trifluoromethyl)phenyl]-ethylcarbamic acid
CID 163197261
(4-Chloro-3-methylphenyl)carbamic acid
CID 21925419
Carboxy-(4-chlorophenyl)-[3-[1-(dimethylamino)-2-methylpropan-2-yl]phenyl]-methylazanium
CID 53712889
(3-Chloro-4-methylphenyl)-methylcarbamic acid
CID 53989190

Frequently Asked Questions

What is the IUPAC name of (4-chloro-3,5-dimethylphenyl)-(3-chlorophenyl)carbamic acid?
The IUPAC name of (4-chloro-3,5-dimethylphenyl)-(3-chlorophenyl)carbamic acid (CID 57361905) is (4-chloro-3,5-dimethylphenyl)-(3-chlorophenyl)carbamic acid.
What is the SMILES notation for (4-chloro-3,5-dimethylphenyl)-(3-chlorophenyl)carbamic acid?
The canonical SMILES for (4-chloro-3,5-dimethylphenyl)-(3-chlorophenyl)carbamic acid is Cc1cc(N(C(=O)O)c2cccc(Cl)c2)cc(C)c1Cl.
What is the InChIKey of (4-chloro-3,5-dimethylphenyl)-(3-chlorophenyl)carbamic acid?
The InChIKey is QPPPVHRCMUSILA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2NO2/c1-9-6-13(7-10(2)14(9)17)18(15(19)20)12-5-3-4-11(16)8-12/h3-8H,1-2H3,(H,19,20).
What are the key properties of (4-chloro-3,5-dimethylphenyl)-(3-chlorophenyl)carbamic acid?
(4-chloro-3,5-dimethylphenyl)-(3-chlorophenyl)carbamic acid has a molecular weight of 310.18 g/mol, XLogP of 5.43, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-3,5-dimethylphenyl)-(3-chlorophenyl)carbamic acid is sourced from PubChem (CID 57361905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).