(3-amino-4-methoxyphenyl) N-(2,5-dichlorophenyl)carbamate

C14H12Cl2N2O3 — CID 70556220

IUPAC(3-amino-4-methoxyphenyl) N-(2,5-dichlorophenyl)carbamate
SMILESCOc1ccc(OC(=O)Nc2cc(Cl)ccc2Cl)cc1N
InChIInChI=1S/C14H12Cl2N2O3/c1-20-13-5-3-9(7-11(13)17)21-14(19)18-12-6-8(15)2-4-10(12)16/h2-7H,17H2,1H3,(H,18,19)
InChIKeyVOZSUVOXTURHAD-UHFFFAOYSA-N
MW327.17 g/mol
LogP4.20
Rot. Bonds3

About (3-amino-4-methoxyphenyl) N-(2,5-dichlorophenyl)carbamate

(3-amino-4-methoxyphenyl) N-(2,5-dichlorophenyl)carbamate (PubChem CID 70556220) has the molecular formula C14H12Cl2N2O3 and a molecular weight of 327.17 g/mol. Its IUPAC name is (3-amino-4-methoxyphenyl) N-(2,5-dichlorophenyl)carbamate.

Molecular Properties

Compound Name(3-amino-4-methoxyphenyl) N-(2,5-dichlorophenyl)carbamate
PubChem CID70556220
Molecular FormulaC14H12Cl2N2O3
Molecular Weight327.17 g/mol
Exact Mass326.02
IUPAC Name(3-amino-4-methoxyphenyl) N-(2,5-dichlorophenyl)carbamate
SMILESCOc1ccc(OC(=O)Nc2cc(Cl)ccc2Cl)cc1N
InChIInChI=1S/C14H12Cl2N2O3/c1-20-13-5-3-9(7-11(13)17)21-14(19)18-12-6-8(15)2-4-10(12)16/h2-7H,17H2,1H3,(H,18,19)
InChIKeyVOZSUVOXTURHAD-UHFFFAOYSA-N
XLogP4.20
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.17
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4-methoxyphenyl) N-(5-chloro-2-methoxyphenyl)carbamate
CID 3332616
(3,5-dichlorophenyl) N-(2,5-dichlorophenyl)carbamate
CID 134103774
N-(2,5-dichlorophenyl)-2,4,5-trimethoxybenzamide
CID 1020033
1-(4-amino-2-methoxyphenyl)-3-(2,5-dichlorophenyl)urea
CID 43554951
tert-butyl N-(2,5-dichlorophenyl)carbamate
CID 4935502
N-(2-amino-4-methoxyphenyl)-5-chloro-2-methoxybenzamide
CID 29274206
3-amino-N-(5-chloro-2-fluorophenyl)-4-methoxybenzamide
CID 43438163
pyridin-3-yl N-(2,5-dichlorophenyl)carbamate
CID 4143685
(4-aminophenyl) N-(5-chloro-2-hydroxyphenyl)carbamate
CID 10468799
3-amino-N-(2,5-dichlorophenyl)-5-methoxybenzamide
CID 81089771
[2-(2,5-dichloroanilino)-2-oxoethyl] 2,4-dimethoxybenzoate
CID 2505004
N-(2,5-dichlorophenyl)-2-(2-methoxy-4-methylphenoxy)acetamide
CID 35987064

Frequently Asked Questions

What is the IUPAC name of (3-amino-4-methoxyphenyl) N-(2,5-dichlorophenyl)carbamate?
The IUPAC name of (3-amino-4-methoxyphenyl) N-(2,5-dichlorophenyl)carbamate (CID 70556220) is (3-amino-4-methoxyphenyl) N-(2,5-dichlorophenyl)carbamate.
What is the SMILES notation for (3-amino-4-methoxyphenyl) N-(2,5-dichlorophenyl)carbamate?
The canonical SMILES for (3-amino-4-methoxyphenyl) N-(2,5-dichlorophenyl)carbamate is COc1ccc(OC(=O)Nc2cc(Cl)ccc2Cl)cc1N.
What is the InChIKey of (3-amino-4-methoxyphenyl) N-(2,5-dichlorophenyl)carbamate?
The InChIKey is VOZSUVOXTURHAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N2O3/c1-20-13-5-3-9(7-11(13)17)21-14(19)18-12-6-8(15)2-4-10(12)16/h2-7H,17H2,1H3,(H,18,19).
What are the key properties of (3-amino-4-methoxyphenyl) N-(2,5-dichlorophenyl)carbamate?
(3-amino-4-methoxyphenyl) N-(2,5-dichlorophenyl)carbamate has a molecular weight of 327.17 g/mol, XLogP of 4.20, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-4-methoxyphenyl) N-(2,5-dichlorophenyl)carbamate is sourced from PubChem (CID 70556220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).