N-(2-chloro-4,5-difluorophenyl)-N-(3,5-dimethylphenyl)carbamate

C15H11ClF2NO2- — CID 57374336

IUPACN-(2-chloro-4,5-difluorophenyl)-N-(3,5-dimethylphenyl)carbamate
SMILESCc1cc(C)cc(N(C(=O)[O-])c2cc(F)c(F)cc2Cl)c1
InChIInChI=1S/C15H12ClF2NO2/c1-8-3-9(2)5-10(4-8)19(15(20)21)14-7-13(18)12(17)6-11(14)16/h3-7H,1-2H3,(H,20,21)/p-1
InChIKeyXQAUCXIZGGIFGC-UHFFFAOYSA-M
MW310.71 g/mol
LogP3.72
Rot. Bonds2

About N-(2-chloro-4,5-difluorophenyl)-N-(3,5-dimethylphenyl)carbamate

N-(2-chloro-4,5-difluorophenyl)-N-(3,5-dimethylphenyl)carbamate (PubChem CID 57374336) has the molecular formula C15H11ClF2NO2- and a molecular weight of 310.71 g/mol. Its IUPAC name is N-(2-chloro-4,5-difluorophenyl)-N-(3,5-dimethylphenyl)carbamate.

Molecular Properties

Compound NameN-(2-chloro-4,5-difluorophenyl)-N-(3,5-dimethylphenyl)carbamate
PubChem CID57374336
Molecular FormulaC15H11ClF2NO2-
Molecular Weight310.71 g/mol
Exact Mass310.05
IUPAC NameN-(2-chloro-4,5-difluorophenyl)-N-(3,5-dimethylphenyl)carbamate
SMILESCc1cc(C)cc(N(C(=O)[O-])c2cc(F)c(F)cc2Cl)c1
InChIInChI=1S/C15H12ClF2NO2/c1-8-3-9(2)5-10(4-8)19(15(20)21)14-7-13(18)12(17)6-11(14)16/h3-7H,1-2H3,(H,20,21)/p-1
InChIKeyXQAUCXIZGGIFGC-UHFFFAOYSA-M
XLogP3.72
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.71
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

methyl N-tert-butyl-N-[2-chloro-5-(trifluoromethyl)phenyl]carbamate
CID 135076508
N-(2'-chloro4',6'-difluorophenyl)-N-chloroacetyl-4-methylaniline
CID 21938676
2-chloro-6-fluoro-N-(2-fluoro-5-methylphenyl)aniline
CID 56608807
N-acetyl-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 57118427
[4-Chloro-3-(trifluoromethyl)phenyl]-phenylcarbamic acid
CID 66589336
[2-Chloro-5-(trifluoromethyl)phenyl]-phenylcarbamic acid
CID 71129208
(5-Chloro-2-fluoro-4-methylphenyl)-phenylcarbamic acid
CID 170319571
tert-butyl N-(2-chlorophenyl)-N-(1-phenylethenyl)carbamate
CID 25186868
tert-butyl N-(2-chlorophenyl)-N-[(E)-1-phenylprop-1-enyl]carbamate
CID 25187149
(2-Chloro-4,5-difluorophenyl)-(3,5-dimethylphenyl)carbamic acid
CID 57374337
1-(2-Chloro-6-fluorophenyl)-3-(3,5-dimethylphenyl)urea
CID 108896606
methyl N-[2-chloro-5-(trifluoromethyl)phenyl]-N-methylcarbamate
CID 110604261

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4,5-difluorophenyl)-N-(3,5-dimethylphenyl)carbamate?
The IUPAC name of N-(2-chloro-4,5-difluorophenyl)-N-(3,5-dimethylphenyl)carbamate (CID 57374336) is N-(2-chloro-4,5-difluorophenyl)-N-(3,5-dimethylphenyl)carbamate.
What is the SMILES notation for N-(2-chloro-4,5-difluorophenyl)-N-(3,5-dimethylphenyl)carbamate?
The canonical SMILES for N-(2-chloro-4,5-difluorophenyl)-N-(3,5-dimethylphenyl)carbamate is Cc1cc(C)cc(N(C(=O)[O-])c2cc(F)c(F)cc2Cl)c1.
What is the InChIKey of N-(2-chloro-4,5-difluorophenyl)-N-(3,5-dimethylphenyl)carbamate?
The InChIKey is XQAUCXIZGGIFGC-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H12ClF2NO2/c1-8-3-9(2)5-10(4-8)19(15(20)21)14-7-13(18)12(17)6-11(14)16/h3-7H,1-2H3,(H,20,21)/p-1.
What are the key properties of N-(2-chloro-4,5-difluorophenyl)-N-(3,5-dimethylphenyl)carbamate?
N-(2-chloro-4,5-difluorophenyl)-N-(3,5-dimethylphenyl)carbamate has a molecular weight of 310.71 g/mol, XLogP of 3.72, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4,5-difluorophenyl)-N-(3,5-dimethylphenyl)carbamate is sourced from PubChem (CID 57374336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).