[2-[(2-phenylacetyl)amino]ethylideneamino] N-(4-chlorophenyl)carbamate

C17H16ClN3O3 — CID 4141987

IUPAC[2-[(2-phenylacetyl)amino]ethylideneamino] N-(4-chlorophenyl)carbamate
SMILESO=C(Cc1ccccc1)NCC=NOC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C17H16ClN3O3/c18-14-6-8-15(9-7-14)21-17(23)24-20-11-10-19-16(22)12-13-4-2-1-3-5-13/h1-9,11H,10,12H2,(H,19,22)(H,21,23)
InChIKeyJXPRIOUWAWCRFX-UHFFFAOYSA-N
MW345.79 g/mol
LogP3.23
Rot. Bonds6

About [2-[(2-phenylacetyl)amino]ethylideneamino] N-(4-chlorophenyl)carbamate

[2-[(2-phenylacetyl)amino]ethylideneamino] N-(4-chlorophenyl)carbamate (PubChem CID 4141987) has the molecular formula C17H16ClN3O3 and a molecular weight of 345.79 g/mol. Its IUPAC name is [2-[(2-phenylacetyl)amino]ethylideneamino] N-(4-chlorophenyl)carbamate.

Molecular Properties

Compound Name[2-[(2-phenylacetyl)amino]ethylideneamino] N-(4-chlorophenyl)carbamate
PubChem CID4141987
Molecular FormulaC17H16ClN3O3
Molecular Weight345.79 g/mol
Exact Mass345.09
IUPAC Name[2-[(2-phenylacetyl)amino]ethylideneamino] N-(4-chlorophenyl)carbamate
SMILESO=C(Cc1ccccc1)NCC=NOC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C17H16ClN3O3/c18-14-6-8-15(9-7-14)21-17(23)24-20-11-10-19-16(22)12-13-4-2-1-3-5-13/h1-9,11H,10,12H2,(H,19,22)(H,21,23)
InChIKeyJXPRIOUWAWCRFX-UHFFFAOYSA-N
XLogP3.23
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.79
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

N-[4-(4-chloroanilino)phenyl]-2-phenylacetamide
CID 112987026
N-[3-[(4-chlorophenyl)carbamoylamino]phenyl]-2-phenylacetamide
CID 17235520
N'-(4-chlorophenyl)-N-(2-phenylethyl)propanediamide
CID 108947987
2-(4-chlorophenyl)-N-[4-(3-phenylpropoxy)phenyl]acetamide
CID 17130169
(E)-3-(benzylamino)-N-(4-chlorophenyl)but-2-enamide
CID 6346285
2-[2-(4-chloroanilino)-2-oxoethoxy]-N-phenylacetamide
CID 35270563
N-(4-chlorophenyl)-3-hydroxyiminopropanamide
CID 2764778
benzamido N-(4-chlorophenyl)carbamate
CID 134110176
N-[2-(4-chloroanilino)-2-oxoethyl]-2-(2-phenylethyl)benzamide
CID 52741879
3-(2,4-dichlorophenyl)-N-[4-[(2-phenylacetyl)amino]phenyl]prop-2-enamide
CID 5139454
N-(3-chloro-4-fluorophenyl)-2-phenylacetamide
CID 871803
2-[(4-chlorophenyl)carbamothioylamino]-N-phenylacetamide
CID 87893882

Frequently Asked Questions

What is the IUPAC name of [2-[(2-phenylacetyl)amino]ethylideneamino] N-(4-chlorophenyl)carbamate?
The IUPAC name of [2-[(2-phenylacetyl)amino]ethylideneamino] N-(4-chlorophenyl)carbamate (CID 4141987) is [2-[(2-phenylacetyl)amino]ethylideneamino] N-(4-chlorophenyl)carbamate.
What is the SMILES notation for [2-[(2-phenylacetyl)amino]ethylideneamino] N-(4-chlorophenyl)carbamate?
The canonical SMILES for [2-[(2-phenylacetyl)amino]ethylideneamino] N-(4-chlorophenyl)carbamate is O=C(Cc1ccccc1)NCC=NOC(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of [2-[(2-phenylacetyl)amino]ethylideneamino] N-(4-chlorophenyl)carbamate?
The InChIKey is JXPRIOUWAWCRFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O3/c18-14-6-8-15(9-7-14)21-17(23)24-20-11-10-19-16(22)12-13-4-2-1-3-5-13/h1-9,11H,10,12H2,(H,19,22)(H,21,23).
What are the key properties of [2-[(2-phenylacetyl)amino]ethylideneamino] N-(4-chlorophenyl)carbamate?
[2-[(2-phenylacetyl)amino]ethylideneamino] N-(4-chlorophenyl)carbamate has a molecular weight of 345.79 g/mol, XLogP of 3.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-phenylacetyl)amino]ethylideneamino] N-(4-chlorophenyl)carbamate is sourced from PubChem (CID 4141987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).