(benzhydrylideneamino) N-(3-chlorophenyl)carbamate

C20H15ClN2O2 — CID 3836525

IUPAC(benzhydrylideneamino) N-(3-chlorophenyl)carbamate
SMILESO=C(Nc1cccc(Cl)c1)ON=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H15ClN2O2/c21-17-12-7-13-18(14-17)22-20(24)25-23-19(15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-14H,(H,22,24)
InChIKeyQOVYCPYXPQYLRC-UHFFFAOYSA-N
MW350.81 g/mol
LogP5.34
Rot. Bonds4

About (benzhydrylideneamino) N-(3-chlorophenyl)carbamate

(benzhydrylideneamino) N-(3-chlorophenyl)carbamate (PubChem CID 3836525) has the molecular formula C20H15ClN2O2 and a molecular weight of 350.81 g/mol. Its IUPAC name is (benzhydrylideneamino) N-(3-chlorophenyl)carbamate.

Molecular Properties

Compound Name(benzhydrylideneamino) N-(3-chlorophenyl)carbamate
PubChem CID3836525
Molecular FormulaC20H15ClN2O2
Molecular Weight350.81 g/mol
Exact Mass350.08
IUPAC Name(benzhydrylideneamino) N-(3-chlorophenyl)carbamate
SMILESO=C(Nc1cccc(Cl)c1)ON=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H15ClN2O2/c21-17-12-7-13-18(14-17)22-20(24)25-23-19(15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-14H,(H,22,24)
InChIKeyQOVYCPYXPQYLRC-UHFFFAOYSA-N
XLogP5.34
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.81
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(E)-[phenyl(pyridin-2-yl)methylidene]amino] N-(3-chlorophenyl)carbamate
CID 5340619
methyl N-(3-chlorophenyl)carbamate
CID 16529
[[amino(2,1,3-benzoxadiazol-5-yl)methylidene]amino] N-(3-chlorophenyl)carbamate
CID 2821570
[(E)-[1-(4-methoxyphenyl)-1-oxopropan-2-ylidene]amino] N-(3-chlorophenyl)carbamate
CID 6949721
N-(3-chlorophenyl)acetamide;N-phenylacetamide
CID 160915382
[(E)-[phenyl(pyridin-4-yl)methylidene]amino] N-(4-methoxyphenyl)carbamate
CID 5340818
[(E)-2,3-dihydroinden-1-ylideneamino] N-(3-chlorophenyl)carbamate
CID 5404037
3-N-(3-chlorophenyl)benzene-1,3-dicarboxamide
CID 35554073
2,2-dichloroethenyl N-(3-chlorophenyl)carbamate
CID 14150192
[[amino-(3-methylphenyl)methylidene]amino] N-phenylcarbamate
CID 71329912
3-chloro-N-[[phenyl(pyridin-4-yl)methylidene]amino]aniline
CID 4224641
N-(3-chlorophenyl)-N'-(1-phenylethylideneamino)oxamide
CID 4249349

Frequently Asked Questions

What is the IUPAC name of (benzhydrylideneamino) N-(3-chlorophenyl)carbamate?
The IUPAC name of (benzhydrylideneamino) N-(3-chlorophenyl)carbamate (CID 3836525) is (benzhydrylideneamino) N-(3-chlorophenyl)carbamate.
What is the SMILES notation for (benzhydrylideneamino) N-(3-chlorophenyl)carbamate?
The canonical SMILES for (benzhydrylideneamino) N-(3-chlorophenyl)carbamate is O=C(Nc1cccc(Cl)c1)ON=C(c1ccccc1)c1ccccc1.
What is the InChIKey of (benzhydrylideneamino) N-(3-chlorophenyl)carbamate?
The InChIKey is QOVYCPYXPQYLRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN2O2/c21-17-12-7-13-18(14-17)22-20(24)25-23-19(15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-14H,(H,22,24).
What are the key properties of (benzhydrylideneamino) N-(3-chlorophenyl)carbamate?
(benzhydrylideneamino) N-(3-chlorophenyl)carbamate has a molecular weight of 350.81 g/mol, XLogP of 5.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (benzhydrylideneamino) N-(3-chlorophenyl)carbamate is sourced from PubChem (CID 3836525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).