methyl N-[[(2E)-2-(4-chlorophenyl)-2-(phenylhydrazinylidene)acetyl]amino]carbamate

C16H15ClN4O3 — CID 100965290

IUPACmethyl N-[[(2E)-2-(4-chlorophenyl)-2-(phenylhydrazinylidene)acetyl]amino]carbamate
SMILESCOC(=O)NNC(=O)/C(=N/Nc1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C16H15ClN4O3/c1-24-16(23)21-20-15(22)14(11-7-9-12(17)10-8-11)19-18-13-5-3-2-4-6-13/h2-10,18H,1H3,(H,20,22)(H,21,23)/b19-14+
InChIKeyRSMBWGVNNUGJMI-XMHGGMMESA-N
MW346.77 g/mol
LogP2.54
Rot. Bonds4

About methyl N-[[(2E)-2-(4-chlorophenyl)-2-(phenylhydrazinylidene)acetyl]amino]carbamate

methyl N-[[(2E)-2-(4-chlorophenyl)-2-(phenylhydrazinylidene)acetyl]amino]carbamate (PubChem CID 100965290) has the molecular formula C16H15ClN4O3 and a molecular weight of 346.77 g/mol. Its IUPAC name is methyl N-[[(2E)-2-(4-chlorophenyl)-2-(phenylhydrazinylidene)acetyl]amino]carbamate.

Molecular Properties

Compound Namemethyl N-[[(2E)-2-(4-chlorophenyl)-2-(phenylhydrazinylidene)acetyl]amino]carbamate
PubChem CID100965290
Molecular FormulaC16H15ClN4O3
Molecular Weight346.77 g/mol
Exact Mass346.08
IUPAC Namemethyl N-[[(2E)-2-(4-chlorophenyl)-2-(phenylhydrazinylidene)acetyl]amino]carbamate
SMILESCOC(=O)NNC(=O)/C(=N/Nc1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C16H15ClN4O3/c1-24-16(23)21-20-15(22)14(11-7-9-12(17)10-8-11)19-18-13-5-3-2-4-6-13/h2-10,18H,1H3,(H,20,22)(H,21,23)/b19-14+
InChIKeyRSMBWGVNNUGJMI-XMHGGMMESA-N
XLogP2.54
TPSA91.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.77
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2Z)-N-methyl-2-phenyl-2-(phenylhydrazinylidene)acetamide
CID 15371306
ethyl 2-[(4-chlorophenyl)hydrazinylidene]-2-phenylacetate
CID 87540078
(2E)-2-(4-cyanophenyl)-2-(phenylhydrazinylidene)acetic acid;ethane
CID 91067618
(2Z)-N,N-dimethyl-2-phenyl-2-(phenylhydrazinylidene)acetamide
CID 14933591
ethyl (2E)-2-(4-methylphenyl)-2-(phenylhydrazinylidene)acetate
CID 159563587
2-[(Z)-N-anilino-C-(4-chlorobenzoyl)carbonimidoyl]-4-methyl-1H-pyrimidin-6-one
CID 135958404
4-chloro-N-(1-phenylethylideneamino)aniline
CID 78572712
(2Z)-2-[(3-chlorophenyl)hydrazinylidene]-1,2-diphenylethanone
CID 6172850
benzyl N-[(E)-1-(4-chlorophenyl)ethylideneamino]carbamate
CID 146162370
(1E)-1-(phenylhydrazinylidene)-1-pyridin-4-ylpropan-2-one
CID 11064487
4-[(E)-C-acetyl-N-anilinocarbonimidoyl]benzonitrile
CID 123575192
(Z)-N-phenylbenzenecarbohydrazonoyl chloride
CID 7290563

Frequently Asked Questions

What is the IUPAC name of methyl N-[[(2E)-2-(4-chlorophenyl)-2-(phenylhydrazinylidene)acetyl]amino]carbamate?
The IUPAC name of methyl N-[[(2E)-2-(4-chlorophenyl)-2-(phenylhydrazinylidene)acetyl]amino]carbamate (CID 100965290) is methyl N-[[(2E)-2-(4-chlorophenyl)-2-(phenylhydrazinylidene)acetyl]amino]carbamate.
What is the SMILES notation for methyl N-[[(2E)-2-(4-chlorophenyl)-2-(phenylhydrazinylidene)acetyl]amino]carbamate?
The canonical SMILES for methyl N-[[(2E)-2-(4-chlorophenyl)-2-(phenylhydrazinylidene)acetyl]amino]carbamate is COC(=O)NNC(=O)/C(=N/Nc1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of methyl N-[[(2E)-2-(4-chlorophenyl)-2-(phenylhydrazinylidene)acetyl]amino]carbamate?
The InChIKey is RSMBWGVNNUGJMI-XMHGGMMESA-N. The full InChI is InChI=1S/C16H15ClN4O3/c1-24-16(23)21-20-15(22)14(11-7-9-12(17)10-8-11)19-18-13-5-3-2-4-6-13/h2-10,18H,1H3,(H,20,22)(H,21,23)/b19-14+.
What are the key properties of methyl N-[[(2E)-2-(4-chlorophenyl)-2-(phenylhydrazinylidene)acetyl]amino]carbamate?
methyl N-[[(2E)-2-(4-chlorophenyl)-2-(phenylhydrazinylidene)acetyl]amino]carbamate has a molecular weight of 346.77 g/mol, XLogP of 2.54, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[[(2E)-2-(4-chlorophenyl)-2-(phenylhydrazinylidene)acetyl]amino]carbamate is sourced from PubChem (CID 100965290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).