(5-amino-2,4-dichlorophenyl) N-(4-chloro-2-methylphenyl)carbamate

C14H11Cl3N2O2 — CID 70593902

IUPAC(5-amino-2,4-dichlorophenyl) N-(4-chloro-2-methylphenyl)carbamate
SMILESCc1cc(Cl)ccc1NC(=O)Oc1cc(N)c(Cl)cc1Cl
InChIInChI=1S/C14H11Cl3N2O2/c1-7-4-8(15)2-3-12(7)19-14(20)21-13-6-11(18)9(16)5-10(13)17/h2-6H,18H2,1H3,(H,19,20)
InChIKeyNWXYPFOCJVJQJT-UHFFFAOYSA-N
MW345.61 g/mol
LogP5.15
Rot. Bonds2

About (5-amino-2,4-dichlorophenyl) N-(4-chloro-2-methylphenyl)carbamate

(5-amino-2,4-dichlorophenyl) N-(4-chloro-2-methylphenyl)carbamate (PubChem CID 70593902) has the molecular formula C14H11Cl3N2O2 and a molecular weight of 345.61 g/mol. Its IUPAC name is (5-amino-2,4-dichlorophenyl) N-(4-chloro-2-methylphenyl)carbamate.

Molecular Properties

Compound Name(5-amino-2,4-dichlorophenyl) N-(4-chloro-2-methylphenyl)carbamate
PubChem CID70593902
Molecular FormulaC14H11Cl3N2O2
Molecular Weight345.61 g/mol
Exact Mass343.99
IUPAC Name(5-amino-2,4-dichlorophenyl) N-(4-chloro-2-methylphenyl)carbamate
SMILESCc1cc(Cl)ccc1NC(=O)Oc1cc(N)c(Cl)cc1Cl
InChIInChI=1S/C14H11Cl3N2O2/c1-7-4-8(15)2-3-12(7)19-14(20)21-13-6-11(18)9(16)5-10(13)17/h2-6H,18H2,1H3,(H,19,20)
InChIKeyNWXYPFOCJVJQJT-UHFFFAOYSA-N
XLogP5.15
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.61
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2,4,5-trichlorophenyl) N-(2,4-dimethylphenyl)carbamate
CID 3311503
(2,4,5-trichlorophenyl) N-(2,4-dichlorophenyl)carbamate
CID 4086863
methyl N-(4-chloro-2-methylphenyl)carbamate
CID 3262623
(4-bromo-3,5-dimethylphenyl) N-(4-chloro-2-methylphenyl)carbamate
CID 3265597
quinolin-8-yl N-(4-chloro-2-methylphenyl)carbamate
CID 4114016
4-amino-N-(4-chloro-2-methylphenyl)-3-methoxybenzamide
CID 104782349
3,5-diamino-N-(4-chloro-2-methylphenyl)benzamide
CID 61093328
ethyl N-[(4-chloro-2-methylphenyl)carbamoylamino]carbamate
CID 4307615
N'-(4-chloro-2,5-dimethoxyphenyl)-N-(4-chloro-2-methylphenyl)propanediamide
CID 108955228
N-(4-chloro-2-methylphenyl)-N'-(2,4-dichlorophenyl)propanediamide
CID 108955225
4-(2-aminophenoxy)-N-(4-chloro-2-methylphenyl)butanamide
CID 84552445
2-amino-3-chloro-N-(4-chloro-2-methylphenyl)benzamide
CID 82546494

Frequently Asked Questions

What is the IUPAC name of (5-amino-2,4-dichlorophenyl) N-(4-chloro-2-methylphenyl)carbamate?
The IUPAC name of (5-amino-2,4-dichlorophenyl) N-(4-chloro-2-methylphenyl)carbamate (CID 70593902) is (5-amino-2,4-dichlorophenyl) N-(4-chloro-2-methylphenyl)carbamate.
What is the SMILES notation for (5-amino-2,4-dichlorophenyl) N-(4-chloro-2-methylphenyl)carbamate?
The canonical SMILES for (5-amino-2,4-dichlorophenyl) N-(4-chloro-2-methylphenyl)carbamate is Cc1cc(Cl)ccc1NC(=O)Oc1cc(N)c(Cl)cc1Cl.
What is the InChIKey of (5-amino-2,4-dichlorophenyl) N-(4-chloro-2-methylphenyl)carbamate?
The InChIKey is NWXYPFOCJVJQJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl3N2O2/c1-7-4-8(15)2-3-12(7)19-14(20)21-13-6-11(18)9(16)5-10(13)17/h2-6H,18H2,1H3,(H,19,20).
What are the key properties of (5-amino-2,4-dichlorophenyl) N-(4-chloro-2-methylphenyl)carbamate?
(5-amino-2,4-dichlorophenyl) N-(4-chloro-2-methylphenyl)carbamate has a molecular weight of 345.61 g/mol, XLogP of 5.15, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-2,4-dichlorophenyl) N-(4-chloro-2-methylphenyl)carbamate is sourced from PubChem (CID 70593902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).