ethyl 2-(N-amino-4-chloroanilino)acetate;phenylhydrazine

C16H21ClN4O2 — CID 86635498

IUPACethyl 2-(N-amino-4-chloroanilino)acetate;phenylhydrazine
SMILESCCOC(=O)CN(N)c1ccc(Cl)cc1.NNc1ccccc1
InChIInChI=1S/C10H13ClN2O2.C6H8N2/c1-2-15-10(14)7-13(12)9-5-3-8(11)4-6-9;7-8-6-4-2-1-3-5-6/h3-6H,2,7,12H2,1H3;1-5,8H,7H2
InChIKeyCVDZRUSZIMFZQX-UHFFFAOYSA-N
MW336.82 g/mol
LogP2.56
Rot. Bonds5

About ethyl 2-(N-amino-4-chloroanilino)acetate;phenylhydrazine

ethyl 2-(N-amino-4-chloroanilino)acetate;phenylhydrazine (PubChem CID 86635498) has the molecular formula C16H21ClN4O2 and a molecular weight of 336.82 g/mol. Its IUPAC name is ethyl 2-(N-amino-4-chloroanilino)acetate;phenylhydrazine.

Molecular Properties

Compound Nameethyl 2-(N-amino-4-chloroanilino)acetate;phenylhydrazine
PubChem CID86635498
Molecular FormulaC16H21ClN4O2
Molecular Weight336.82 g/mol
Exact Mass336.14
IUPAC Nameethyl 2-(N-amino-4-chloroanilino)acetate;phenylhydrazine
SMILESCCOC(=O)CN(N)c1ccc(Cl)cc1.NNc1ccccc1
InChIInChI=1S/C10H13ClN2O2.C6H8N2/c1-2-15-10(14)7-13(12)9-5-3-8(11)4-6-9;7-8-6-4-2-1-3-5-6/h3-6H,2,7,12H2,1H3;1-5,8H,7H2
InChIKeyCVDZRUSZIMFZQX-UHFFFAOYSA-N
XLogP2.56
TPSA93.61 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.82
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-(4-chloro-N-(2-phenylacetyl)anilino)acetate
CID 14856955
chlorobenzene;ethyl 2-hydroxyacetate
CID 174326812
ethyl 2-(N-(2-acetyloxy-2-phenylacetyl)-4-chloroanilino)acetate
CID 13084468
acetic acid;(4-chlorophenyl)hydrazine
CID 172727373
ethyl 2-[(4-chlorophenyl)carbamoyl-ethylamino]acetate
CID 54900426
diethyl 2-[anilino-(4-chlorophenyl)methyl]butanedioate
CID 16753203
ethyl 3-anilinopropanoate
CID 10910393
(2E)-N'-(4-chlorophenyl)-2-[dimethylamino(ethoxy)methylidene]-N-phenylpropanediamide
CID 134921217
ethyl N,N-bis(4-chlorophenyl)carbamate
CID 67612549
ethyl (3S)-3-anilinopentanoate
CID 101375253
2-[4-chloro-N-(phenylcarbamoyl)anilino]acetic acid
CID 60829611
ethyl 3-anilino-3-oxopropanoate
CID 3016808

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(N-amino-4-chloroanilino)acetate;phenylhydrazine?
The IUPAC name of ethyl 2-(N-amino-4-chloroanilino)acetate;phenylhydrazine (CID 86635498) is ethyl 2-(N-amino-4-chloroanilino)acetate;phenylhydrazine.
What is the SMILES notation for ethyl 2-(N-amino-4-chloroanilino)acetate;phenylhydrazine?
The canonical SMILES for ethyl 2-(N-amino-4-chloroanilino)acetate;phenylhydrazine is CCOC(=O)CN(N)c1ccc(Cl)cc1.NNc1ccccc1.
What is the InChIKey of ethyl 2-(N-amino-4-chloroanilino)acetate;phenylhydrazine?
The InChIKey is CVDZRUSZIMFZQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O2.C6H8N2/c1-2-15-10(14)7-13(12)9-5-3-8(11)4-6-9;7-8-6-4-2-1-3-5-6/h3-6H,2,7,12H2,1H3;1-5,8H,7H2.
What are the key properties of ethyl 2-(N-amino-4-chloroanilino)acetate;phenylhydrazine?
ethyl 2-(N-amino-4-chloroanilino)acetate;phenylhydrazine has a molecular weight of 336.82 g/mol, XLogP of 2.56, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(N-amino-4-chloroanilino)acetate;phenylhydrazine is sourced from PubChem (CID 86635498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).