(2-bromo-4-chloro-5-methylphenyl) N-(5-chloro-2,4-dimethoxyphenyl)carbamate

C16H14BrCl2NO4 — CID 3317523

IUPAC(2-bromo-4-chloro-5-methylphenyl) N-(5-chloro-2,4-dimethoxyphenyl)carbamate
SMILESCOc1cc(OC)c(NC(=O)Oc2cc(C)c(Cl)cc2Br)cc1Cl
InChIInChI=1S/C16H14BrCl2NO4/c1-8-4-13(9(17)5-10(8)18)24-16(21)20-12-6-11(19)14(22-2)7-15(12)23-3/h4-7H,1-3H3,(H,20,21)
InChIKeyIYYHOADHQCMRHF-UHFFFAOYSA-N
MW435.10 g/mol
LogP5.69
Rot. Bonds4

About (2-bromo-4-chloro-5-methylphenyl) N-(5-chloro-2,4-dimethoxyphenyl)carbamate

(2-bromo-4-chloro-5-methylphenyl) N-(5-chloro-2,4-dimethoxyphenyl)carbamate (PubChem CID 3317523) has the molecular formula C16H14BrCl2NO4 and a molecular weight of 435.10 g/mol. Its IUPAC name is (2-bromo-4-chloro-5-methylphenyl) N-(5-chloro-2,4-dimethoxyphenyl)carbamate.

Molecular Properties

Compound Name(2-bromo-4-chloro-5-methylphenyl) N-(5-chloro-2,4-dimethoxyphenyl)carbamate
PubChem CID3317523
Molecular FormulaC16H14BrCl2NO4
Molecular Weight435.10 g/mol
Exact Mass432.95
IUPAC Name(2-bromo-4-chloro-5-methylphenyl) N-(5-chloro-2,4-dimethoxyphenyl)carbamate
SMILESCOc1cc(OC)c(NC(=O)Oc2cc(C)c(Cl)cc2Br)cc1Cl
InChIInChI=1S/C16H14BrCl2NO4/c1-8-4-13(9(17)5-10(8)18)24-16(21)20-12-6-11(19)14(22-2)7-15(12)23-3/h4-7H,1-3H3,(H,20,21)
InChIKeyIYYHOADHQCMRHF-UHFFFAOYSA-N
XLogP5.69
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.10
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl N-(5-chloro-2,4-dimethoxyphenyl)carbamate
CID 17173078
N-(4-chloro-2,5-dimethoxyphenyl)-N'-(4-chloro-2-methoxy-5-methylphenyl)oxamide
CID 108532266
(2-chloro-4-nitrophenyl) N-(5-chloro-2,4-dimethoxyphenyl)carbamate
CID 4121365
ethyl 4-[(5-chloro-2,4-dimethoxyphenyl)carbamoyloxy]benzoate
CID 3646188
N-(5-chloro-2-methoxy-4-methylphenyl)-2-hydroxy-2-methylpropanamide
CID 115178540
ethyl N-(5-bromo-4-chloro-2-methoxyphenyl)carbamate
CID 134113322
tert-butyl N-(5-chloro-4-methoxy-2-methylphenyl)carbamate
CID 69097022
N-(5-bromo-4-chloro-2-methoxyphenyl)acetamide
CID 171363899
N-(5-chloro-2,4-dimethoxyphenyl)-2,4-dimethylbenzamide
CID 925288
trans-(1S,2S)-N-(5-chloro-2,4-dimethoxyphenyl)-2-methylcyclopropane-1-carboxamide
CID 26210572
trans-(1R,2R)-N-(5-chloro-2,4-dimethoxyphenyl)-2-methylcyclopropane-1-carboxamide
CID 26210573
2-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide
CID 107902832

Frequently Asked Questions

What is the IUPAC name of (2-bromo-4-chloro-5-methylphenyl) N-(5-chloro-2,4-dimethoxyphenyl)carbamate?
The IUPAC name of (2-bromo-4-chloro-5-methylphenyl) N-(5-chloro-2,4-dimethoxyphenyl)carbamate (CID 3317523) is (2-bromo-4-chloro-5-methylphenyl) N-(5-chloro-2,4-dimethoxyphenyl)carbamate.
What is the SMILES notation for (2-bromo-4-chloro-5-methylphenyl) N-(5-chloro-2,4-dimethoxyphenyl)carbamate?
The canonical SMILES for (2-bromo-4-chloro-5-methylphenyl) N-(5-chloro-2,4-dimethoxyphenyl)carbamate is COc1cc(OC)c(NC(=O)Oc2cc(C)c(Cl)cc2Br)cc1Cl.
What is the InChIKey of (2-bromo-4-chloro-5-methylphenyl) N-(5-chloro-2,4-dimethoxyphenyl)carbamate?
The InChIKey is IYYHOADHQCMRHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrCl2NO4/c1-8-4-13(9(17)5-10(8)18)24-16(21)20-12-6-11(19)14(22-2)7-15(12)23-3/h4-7H,1-3H3,(H,20,21).
What are the key properties of (2-bromo-4-chloro-5-methylphenyl) N-(5-chloro-2,4-dimethoxyphenyl)carbamate?
(2-bromo-4-chloro-5-methylphenyl) N-(5-chloro-2,4-dimethoxyphenyl)carbamate has a molecular weight of 435.10 g/mol, XLogP of 5.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-4-chloro-5-methylphenyl) N-(5-chloro-2,4-dimethoxyphenyl)carbamate is sourced from PubChem (CID 3317523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).