(3-chlorophenyl)methyl N-(4-aminophenyl)carbamate

C14H13ClN2O2 — CID 65126577

IUPAC(3-chlorophenyl)methyl N-(4-aminophenyl)carbamate
SMILESNc1ccc(NC(=O)OCc2cccc(Cl)c2)cc1
InChIInChI=1S/C14H13ClN2O2/c15-11-3-1-2-10(8-11)9-19-14(18)17-13-6-4-12(16)5-7-13/h1-8H,9,16H2,(H,17,18)
InChIKeyWBECUPVLKCZORY-UHFFFAOYSA-N
MW276.72 g/mol
LogP3.67
Rot. Bonds3

About (3-chlorophenyl)methyl N-(4-aminophenyl)carbamate

(3-chlorophenyl)methyl N-(4-aminophenyl)carbamate (PubChem CID 65126577) has the molecular formula C14H13ClN2O2 and a molecular weight of 276.72 g/mol. Its IUPAC name is (3-chlorophenyl)methyl N-(4-aminophenyl)carbamate.

Molecular Properties

Compound Name(3-chlorophenyl)methyl N-(4-aminophenyl)carbamate
PubChem CID65126577
Molecular FormulaC14H13ClN2O2
Molecular Weight276.72 g/mol
Exact Mass276.07
IUPAC Name(3-chlorophenyl)methyl N-(4-aminophenyl)carbamate
SMILESNc1ccc(NC(=O)OCc2cccc(Cl)c2)cc1
InChIInChI=1S/C14H13ClN2O2/c15-11-3-1-2-10(8-11)9-19-14(18)17-13-6-4-12(16)5-7-13/h1-8H,9,16H2,(H,17,18)
InChIKeyWBECUPVLKCZORY-UHFFFAOYSA-N
XLogP3.67
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.72
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(3-methoxyphenyl)methyl N-(4-aminophenyl)carbamate
CID 43469136
bis[(3-chlorophenyl)methyl] carbonate
CID 44719399
benzyl N-[3-(4-aminophenyl)phenyl]carbamate;hydrochloride
CID 76853740
(3-chlorophenyl)methyl 5-amino-1-benzofuran-2-carboxylate
CID 61321352
benzyl N-[4-(3-chloro-5-hydroxyphenyl)phenyl]carbamate
CID 53221594
(3-chlorophenyl)methyl 2-methoxyacetate
CID 142607419
benzyl N-[4-(chlorooxymethyl)phenyl]carbamate
CID 70641351
(3-chlorophenyl)methyl 2-(3-chloroanilino)acetate
CID 65127418
(3-chlorophenyl)methyl 3,5-diacetamidobenzoate
CID 30097917
(3-methoxyphenyl)methyl N-[4-(aminomethyl)phenyl]carbamate
CID 43309306
3-[(3-chlorophenyl)methoxycarbonylamino]-3-sulfanylpropanoic acid
CID 156884507
benzyl N-[4-(2-aminoethyl)phenyl]carbamate
CID 86810400

Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)methyl N-(4-aminophenyl)carbamate?
The IUPAC name of (3-chlorophenyl)methyl N-(4-aminophenyl)carbamate (CID 65126577) is (3-chlorophenyl)methyl N-(4-aminophenyl)carbamate.
What is the SMILES notation for (3-chlorophenyl)methyl N-(4-aminophenyl)carbamate?
The canonical SMILES for (3-chlorophenyl)methyl N-(4-aminophenyl)carbamate is Nc1ccc(NC(=O)OCc2cccc(Cl)c2)cc1.
What is the InChIKey of (3-chlorophenyl)methyl N-(4-aminophenyl)carbamate?
The InChIKey is WBECUPVLKCZORY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O2/c15-11-3-1-2-10(8-11)9-19-14(18)17-13-6-4-12(16)5-7-13/h1-8H,9,16H2,(H,17,18).
What are the key properties of (3-chlorophenyl)methyl N-(4-aminophenyl)carbamate?
(3-chlorophenyl)methyl N-(4-aminophenyl)carbamate has a molecular weight of 276.72 g/mol, XLogP of 3.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)methyl N-(4-aminophenyl)carbamate is sourced from PubChem (CID 65126577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).