(E)-3-(2-amino-4-chlorophenyl)-N-hydroxyprop-2-enamide

C9H9ClN2O2 — CID 24860348

IUPAC(E)-3-(2-amino-4-chlorophenyl)-N-hydroxyprop-2-enamide
SMILESNc1cc(Cl)ccc1/C=C/C(=O)NO
InChIInChI=1S/C9H9ClN2O2/c10-7-3-1-6(8(11)5-7)2-4-9(13)12-14/h1-5,14H,11H2,(H,12,13)/b4-2+
InChIKeyCGUYZBKQJPCUDU-DUXPYHPUSA-N
MW212.64 g/mol
LogP1.44
Rot. Bonds2

About (E)-3-(2-amino-4-chlorophenyl)-N-hydroxyprop-2-enamide

(E)-3-(2-amino-4-chlorophenyl)-N-hydroxyprop-2-enamide (PubChem CID 24860348) has the molecular formula C9H9ClN2O2 and a molecular weight of 212.64 g/mol. Its IUPAC name is (E)-3-(2-amino-4-chlorophenyl)-N-hydroxyprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-amino-4-chlorophenyl)-N-hydroxyprop-2-enamide
PubChem CID24860348
Molecular FormulaC9H9ClN2O2
Molecular Weight212.64 g/mol
Exact Mass212.04
IUPAC Name(E)-3-(2-amino-4-chlorophenyl)-N-hydroxyprop-2-enamide
SMILESNc1cc(Cl)ccc1/C=C/C(=O)NO
InChIInChI=1S/C9H9ClN2O2/c10-7-3-1-6(8(11)5-7)2-4-9(13)12-14/h1-5,14H,11H2,(H,12,13)/b4-2+
InChIKeyCGUYZBKQJPCUDU-DUXPYHPUSA-N
XLogP1.44
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.64
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2E)-3-(4-chloro-2-nitrophenyl)-N-hydroxyprop-2-enamide
CID 24860352
(E)-3-[4-(2-aminophenyl)-2-chlorophenyl]-N-hydroxyprop-2-enamide
CID 70681662
N-(5-chloro-2-methylphenyl)-3-methylbut-2-enamide
CID 731838
Methyl (2E)-3-(2-amino-4-chlorophenyl)-2-propenoate
CID 14925557
(E)-3-(2-amino-4-chloro-5-fluorophenyl)prop-2-enoic acid
CID 70280205
3-(2-Amino-4-chloro-5-fluorophenyl)prop-2-enoic acid
CID 70280206
Acetic acid N'-(5-chloro-2-methyl-phenyl)-hydrazide
CID 607664
(E)-2,3-diamino-3-(2-amino-4-chloro-5-fluorophenyl)prop-2-enamide
CID 143334196
3-(4-Amino-2-chloro-5-fluorophenyl)prop-2-enamide
CID 169481831
(E)-N-(5-chloro-2-methylphenyl)but-2-enamide
CID 5858275
N-(5-chloro-2-methylphenyl)but-2-enamide
CID 306808
2-amino-4-chloro-N-hydroxy-benzamide
CID 11708189

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-amino-4-chlorophenyl)-N-hydroxyprop-2-enamide?
The IUPAC name of (E)-3-(2-amino-4-chlorophenyl)-N-hydroxyprop-2-enamide (CID 24860348) is (E)-3-(2-amino-4-chlorophenyl)-N-hydroxyprop-2-enamide.
What is the SMILES notation for (E)-3-(2-amino-4-chlorophenyl)-N-hydroxyprop-2-enamide?
The canonical SMILES for (E)-3-(2-amino-4-chlorophenyl)-N-hydroxyprop-2-enamide is Nc1cc(Cl)ccc1/C=C/C(=O)NO.
What is the InChIKey of (E)-3-(2-amino-4-chlorophenyl)-N-hydroxyprop-2-enamide?
The InChIKey is CGUYZBKQJPCUDU-DUXPYHPUSA-N. The full InChI is InChI=1S/C9H9ClN2O2/c10-7-3-1-6(8(11)5-7)2-4-9(13)12-14/h1-5,14H,11H2,(H,12,13)/b4-2+.
What are the key properties of (E)-3-(2-amino-4-chlorophenyl)-N-hydroxyprop-2-enamide?
(E)-3-(2-amino-4-chlorophenyl)-N-hydroxyprop-2-enamide has a molecular weight of 212.64 g/mol, XLogP of 1.44, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-amino-4-chlorophenyl)-N-hydroxyprop-2-enamide is sourced from PubChem (CID 24860348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).