(2-chlorophenyl)-[5-methyl-2-[[(E)-2-nitroethenyl]amino]phenyl]methanone

C16H13ClN2O3 — CID 15035196

IUPAC(2-chlorophenyl)-[5-methyl-2-[[(E)-2-nitroethenyl]amino]phenyl]methanone
SMILESCc1ccc(N/C=C/[N+](=O)[O-])c(C(=O)c2ccccc2Cl)c1
InChIInChI=1S/C16H13ClN2O3/c1-11-6-7-15(18-8-9-19(21)22)13(10-11)16(20)12-4-2-3-5-14(12)17/h2-10,18H,1H3/b9-8+
InChIKeyWUKOVVBUBXOUFM-CMDGGOBGSA-N
MW316.74 g/mol
LogP4.04
Rot. Bonds5

About (2-chlorophenyl)-[5-methyl-2-[[(E)-2-nitroethenyl]amino]phenyl]methanone

(2-chlorophenyl)-[5-methyl-2-[[(E)-2-nitroethenyl]amino]phenyl]methanone (PubChem CID 15035196) has the molecular formula C16H13ClN2O3 and a molecular weight of 316.74 g/mol. Its IUPAC name is (2-chlorophenyl)-[5-methyl-2-[[(E)-2-nitroethenyl]amino]phenyl]methanone.

Molecular Properties

Compound Name(2-chlorophenyl)-[5-methyl-2-[[(E)-2-nitroethenyl]amino]phenyl]methanone
PubChem CID15035196
Molecular FormulaC16H13ClN2O3
Molecular Weight316.74 g/mol
Exact Mass316.06
IUPAC Name(2-chlorophenyl)-[5-methyl-2-[[(E)-2-nitroethenyl]amino]phenyl]methanone
SMILESCc1ccc(N/C=C/[N+](=O)[O-])c(C(=O)c2ccccc2Cl)c1
InChIInChI=1S/C16H13ClN2O3/c1-11-6-7-15(18-8-9-19(21)22)13(10-11)16(20)12-4-2-3-5-14(12)17/h2-10,18H,1H3/b9-8+
InChIKeyWUKOVVBUBXOUFM-CMDGGOBGSA-N
XLogP4.04
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.74
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2-chlorophenyl)-[5-ethyl-2-(2-nitroethenylamino)thiophen-3-yl]methanone
CID 67757398
(2-chlorophenyl)-(2-fluoro-4-methylphenyl)methanone
CID 114963346
(2-chlorophenyl)-[2-[[(E)-2-nitroethenyl]amino]-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methanone
CID 19787175
N-[2-(2-chlorobenzoyl)-4-nitrophenyl]-2-(dimethylamino)acetamide
CID 18870864
(E)-3-(2-chloro-4-methylanilino)prop-2-enoic acid
CID 103236417
2-chloro-N-(2-chloro-4-methylphenyl)-3-nitrobenzamide
CID 115930887
(2-chlorophenyl)-[5-methoxy-2-(methylamino)phenyl]methanone
CID 134907446
2-(2-chloro-4-methylanilino)-3-nitrobenzoic acid
CID 115932151
N-(2-fluoro-4-methylphenyl)-2-nitrobenzamide
CID 26522920
N-(2-chlorophenyl)-2,5-dimethylbenzamide
CID 925340
(3-chloro-2-fluorophenyl)-(2,5-dimethylphenyl)methanone
CID 64713968
N-(2-chloro-4-methylphenyl)-2-methylbenzamide
CID 2540447

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-[5-methyl-2-[[(E)-2-nitroethenyl]amino]phenyl]methanone?
The IUPAC name of (2-chlorophenyl)-[5-methyl-2-[[(E)-2-nitroethenyl]amino]phenyl]methanone (CID 15035196) is (2-chlorophenyl)-[5-methyl-2-[[(E)-2-nitroethenyl]amino]phenyl]methanone.
What is the SMILES notation for (2-chlorophenyl)-[5-methyl-2-[[(E)-2-nitroethenyl]amino]phenyl]methanone?
The canonical SMILES for (2-chlorophenyl)-[5-methyl-2-[[(E)-2-nitroethenyl]amino]phenyl]methanone is Cc1ccc(N/C=C/[N+](=O)[O-])c(C(=O)c2ccccc2Cl)c1.
What is the InChIKey of (2-chlorophenyl)-[5-methyl-2-[[(E)-2-nitroethenyl]amino]phenyl]methanone?
The InChIKey is WUKOVVBUBXOUFM-CMDGGOBGSA-N. The full InChI is InChI=1S/C16H13ClN2O3/c1-11-6-7-15(18-8-9-19(21)22)13(10-11)16(20)12-4-2-3-5-14(12)17/h2-10,18H,1H3/b9-8+.
What are the key properties of (2-chlorophenyl)-[5-methyl-2-[[(E)-2-nitroethenyl]amino]phenyl]methanone?
(2-chlorophenyl)-[5-methyl-2-[[(E)-2-nitroethenyl]amino]phenyl]methanone has a molecular weight of 316.74 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-[5-methyl-2-[[(E)-2-nitroethenyl]amino]phenyl]methanone is sourced from PubChem (CID 15035196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).