(4-amino-3-chlorophenyl)methyl carbamate

C8H9ClN2O2 — CID 175211951

IUPAC(4-amino-3-chlorophenyl)methyl carbamate
SMILESNC(=O)OCc1ccc(N)c(Cl)c1
InChIInChI=1S/C8H9ClN2O2/c9-6-3-5(1-2-7(6)10)4-13-8(11)12/h1-3H,4,10H2,(H2,11,12)
InChIKeyCODVRBVAGGEVAE-UHFFFAOYSA-N
MW200.63 g/mol
LogP1.52
Rot. Bonds2

About (4-amino-3-chlorophenyl)methyl carbamate

(4-amino-3-chlorophenyl)methyl carbamate (PubChem CID 175211951) has the molecular formula C8H9ClN2O2 and a molecular weight of 200.63 g/mol. Its IUPAC name is (4-amino-3-chlorophenyl)methyl carbamate.

Molecular Properties

Compound Name(4-amino-3-chlorophenyl)methyl carbamate
PubChem CID175211951
Molecular FormulaC8H9ClN2O2
Molecular Weight200.63 g/mol
Exact Mass200.04
IUPAC Name(4-amino-3-chlorophenyl)methyl carbamate
SMILESNC(=O)OCc1ccc(N)c(Cl)c1
InChIInChI=1S/C8H9ClN2O2/c9-6-3-5(1-2-7(6)10)4-13-8(11)12/h1-3H,4,10H2,(H2,11,12)
InChIKeyCODVRBVAGGEVAE-UHFFFAOYSA-N
XLogP1.52
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.63
LogP ≤ 51.52
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

3-(4-amino-3-chlorophenyl)propanamide;hydrochloride
CID 90202691
(4-chlorophenyl)methyl 4-amino-3-chlorobenzoate
CID 64687569
2-(4-amino-3-chlorophenyl)ethanol
CID 54268347
4-(2-aminoethyl)-2-chloroaniline
CID 18621974
[4-(methoxymethyl)phenyl]methyl carbamate
CID 175563517
(3,4-dichlorophenyl)methyl 2-(4-aminophenyl)acetate
CID 61321314
N-[2-(4-amino-3-chlorophenyl)ethyl]acetamide
CID 154361232
(3-chloro-4-methylsulfanylphenyl)methyl acetate
CID 24820752
2-chloro-4-[(3-chlorophenoxy)methyl]aniline
CID 117220338
tert-butyl N-[(4-amino-3-chlorophenyl)methyl]-N-ethylcarbamate
CID 155923548
(3-chloro-4-fluorophenyl)methyl 5-amino-2-bromo-4-fluorobenzoate
CID 103040763
2-chloro-4-propylaniline
CID 19914844

Frequently Asked Questions

What is the IUPAC name of (4-amino-3-chlorophenyl)methyl carbamate?
The IUPAC name of (4-amino-3-chlorophenyl)methyl carbamate (CID 175211951) is (4-amino-3-chlorophenyl)methyl carbamate.
What is the SMILES notation for (4-amino-3-chlorophenyl)methyl carbamate?
The canonical SMILES for (4-amino-3-chlorophenyl)methyl carbamate is NC(=O)OCc1ccc(N)c(Cl)c1.
What is the InChIKey of (4-amino-3-chlorophenyl)methyl carbamate?
The InChIKey is CODVRBVAGGEVAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2O2/c9-6-3-5(1-2-7(6)10)4-13-8(11)12/h1-3H,4,10H2,(H2,11,12).
What are the key properties of (4-amino-3-chlorophenyl)methyl carbamate?
(4-amino-3-chlorophenyl)methyl carbamate has a molecular weight of 200.63 g/mol, XLogP of 1.52, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3-chlorophenyl)methyl carbamate is sourced from PubChem (CID 175211951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).