(3-amino-4-methylphenyl) N-(3-chlorophenyl)carbamate

C14H13ClN2O2 — CID 70557166

IUPAC(3-amino-4-methylphenyl) N-(3-chlorophenyl)carbamate
SMILESCc1ccc(OC(=O)Nc2cccc(Cl)c2)cc1N
InChIInChI=1S/C14H13ClN2O2/c1-9-5-6-12(8-13(9)16)19-14(18)17-11-4-2-3-10(15)7-11/h2-8H,16H2,1H3,(H,17,18)
InChIKeyQUUHKFBNUHVPQS-UHFFFAOYSA-N
MW276.72 g/mol
LogP3.84
Rot. Bonds2

About (3-amino-4-methylphenyl) N-(3-chlorophenyl)carbamate

(3-amino-4-methylphenyl) N-(3-chlorophenyl)carbamate (PubChem CID 70557166) has the molecular formula C14H13ClN2O2 and a molecular weight of 276.72 g/mol. Its IUPAC name is (3-amino-4-methylphenyl) N-(3-chlorophenyl)carbamate.

Molecular Properties

Compound Name(3-amino-4-methylphenyl) N-(3-chlorophenyl)carbamate
PubChem CID70557166
Molecular FormulaC14H13ClN2O2
Molecular Weight276.72 g/mol
Exact Mass276.07
IUPAC Name(3-amino-4-methylphenyl) N-(3-chlorophenyl)carbamate
SMILESCc1ccc(OC(=O)Nc2cccc(Cl)c2)cc1N
InChIInChI=1S/C14H13ClN2O2/c1-9-5-6-12(8-13(9)16)19-14(18)17-11-4-2-3-10(15)7-11/h2-8H,16H2,1H3,(H,17,18)
InChIKeyQUUHKFBNUHVPQS-UHFFFAOYSA-N
XLogP3.84
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.72
LogP ≤ 53.84
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

methyl N-(3-chlorophenyl)carbamate
CID 16529
1,3-benzodioxol-5-yl N-(3-chlorophenyl)carbamate
CID 127552969
(3-amino-4-methylphenyl) N-tert-butylcarbamate
CID 68878688
4-amino-N-(3-chlorophenyl)-3-methylbenzamide
CID 16785313
(3-chlorophenyl)urea;1,2-xylene
CID 70502289
(4-methoxyphenyl) N-(3-aminophenyl)carbamate
CID 12941472
1-(3-amino-4-methylphenyl)-3-(3,5-dichlorophenyl)urea
CID 107652923
2-(propylamino)ethyl N-(3-chlorophenyl)carbamate
CID 79337718
(2-bromo-4-chloro-6-methylphenyl) N-(3-methylphenyl)carbamate
CID 4127799
1-(3-chlorophenyl)-3-[(2-methylpropan-2-yl)oxy]urea
CID 115865549
1-(3-chlorophenyl)-3-(4-methoxyphenyl)urea
CID 727874
N-(3-chlorophenyl)-4-propan-2-yloxybenzamide
CID 823397

Frequently Asked Questions

What is the IUPAC name of (3-amino-4-methylphenyl) N-(3-chlorophenyl)carbamate?
The IUPAC name of (3-amino-4-methylphenyl) N-(3-chlorophenyl)carbamate (CID 70557166) is (3-amino-4-methylphenyl) N-(3-chlorophenyl)carbamate.
What is the SMILES notation for (3-amino-4-methylphenyl) N-(3-chlorophenyl)carbamate?
The canonical SMILES for (3-amino-4-methylphenyl) N-(3-chlorophenyl)carbamate is Cc1ccc(OC(=O)Nc2cccc(Cl)c2)cc1N.
What is the InChIKey of (3-amino-4-methylphenyl) N-(3-chlorophenyl)carbamate?
The InChIKey is QUUHKFBNUHVPQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O2/c1-9-5-6-12(8-13(9)16)19-14(18)17-11-4-2-3-10(15)7-11/h2-8H,16H2,1H3,(H,17,18).
What are the key properties of (3-amino-4-methylphenyl) N-(3-chlorophenyl)carbamate?
(3-amino-4-methylphenyl) N-(3-chlorophenyl)carbamate has a molecular weight of 276.72 g/mol, XLogP of 3.84, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-4-methylphenyl) N-(3-chlorophenyl)carbamate is sourced from PubChem (CID 70557166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).