(4-aminophenyl) N-(5-chloro-2-hydroxyphenyl)carbamate

C13H11ClN2O3 — CID 10468799

IUPAC(4-aminophenyl) N-(5-chloro-2-hydroxyphenyl)carbamate
SMILESNc1ccc(OC(=O)Nc2cc(Cl)ccc2O)cc1
InChIInChI=1S/C13H11ClN2O3/c14-8-1-6-12(17)11(7-8)16-13(18)19-10-4-2-9(15)3-5-10/h1-7,17H,15H2,(H,16,18)
InChIKeyZGCVMJPLVULKQX-UHFFFAOYSA-N
MW278.70 g/mol
LogP3.24
Rot. Bonds2

About (4-aminophenyl) N-(5-chloro-2-hydroxyphenyl)carbamate

(4-aminophenyl) N-(5-chloro-2-hydroxyphenyl)carbamate (PubChem CID 10468799) has the molecular formula C13H11ClN2O3 and a molecular weight of 278.70 g/mol. Its IUPAC name is (4-aminophenyl) N-(5-chloro-2-hydroxyphenyl)carbamate.

Molecular Properties

Compound Name(4-aminophenyl) N-(5-chloro-2-hydroxyphenyl)carbamate
PubChem CID10468799
Molecular FormulaC13H11ClN2O3
Molecular Weight278.70 g/mol
Exact Mass278.05
IUPAC Name(4-aminophenyl) N-(5-chloro-2-hydroxyphenyl)carbamate
SMILESNc1ccc(OC(=O)Nc2cc(Cl)ccc2O)cc1
InChIInChI=1S/C13H11ClN2O3/c14-8-1-6-12(17)11(7-8)16-13(18)19-10-4-2-9(15)3-5-10/h1-7,17H,15H2,(H,16,18)
InChIKeyZGCVMJPLVULKQX-UHFFFAOYSA-N
XLogP3.24
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.70
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(4-aminobenzoyl)-N-(5-chloro-2-hydroxyphenyl)oxamide
CID 108519760
(4-methoxyphenyl) N-(5-chloro-2-methoxyphenyl)carbamate
CID 3332616
(3,5-dichlorophenyl) N-(2,5-dichlorophenyl)carbamate
CID 134103774
phenyl N-(5-amino-2-fluorophenyl)carbamate
CID 43602338
(3-amino-4-methoxyphenyl) N-(2,5-dichlorophenyl)carbamate
CID 70556220
1-N,3-N,5-N-tris(5-chloro-2-hydroxyphenyl)benzene-1,3,5-tricarboxamide
CID 57074099
N-(5-chloro-2-hydroxyphenyl)-2-(4-methoxyphenyl)acetamide
CID 893789
N'-(5-chloro-2-hydroxyphenyl)-N-(4-chlorophenyl)oxamide
CID 108516598
N-(5-chloro-2-hydroxyphenyl)-2-(4-methylphenoxy)acetamide
CID 836090
N-(5-chloro-2-hydroxyphenyl)-2-(4-chlorophenyl)acetamide
CID 1262869
N-(4-amino-3-chlorophenyl)-N'-(5-chloro-2-hydroxyphenyl)oxamide
CID 108515977
methyl (E)-4-(5-chloro-2-hydroxyanilino)-4-oxobut-2-enoate
CID 6241799

Frequently Asked Questions

What is the IUPAC name of (4-aminophenyl) N-(5-chloro-2-hydroxyphenyl)carbamate?
The IUPAC name of (4-aminophenyl) N-(5-chloro-2-hydroxyphenyl)carbamate (CID 10468799) is (4-aminophenyl) N-(5-chloro-2-hydroxyphenyl)carbamate.
What is the SMILES notation for (4-aminophenyl) N-(5-chloro-2-hydroxyphenyl)carbamate?
The canonical SMILES for (4-aminophenyl) N-(5-chloro-2-hydroxyphenyl)carbamate is Nc1ccc(OC(=O)Nc2cc(Cl)ccc2O)cc1.
What is the InChIKey of (4-aminophenyl) N-(5-chloro-2-hydroxyphenyl)carbamate?
The InChIKey is ZGCVMJPLVULKQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O3/c14-8-1-6-12(17)11(7-8)16-13(18)19-10-4-2-9(15)3-5-10/h1-7,17H,15H2,(H,16,18).
What are the key properties of (4-aminophenyl) N-(5-chloro-2-hydroxyphenyl)carbamate?
(4-aminophenyl) N-(5-chloro-2-hydroxyphenyl)carbamate has a molecular weight of 278.70 g/mol, XLogP of 3.24, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminophenyl) N-(5-chloro-2-hydroxyphenyl)carbamate is sourced from PubChem (CID 10468799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).