(4-chloro-3-nitrophenyl)-(4-methylphenyl)methanone

C14H10ClNO3 — CID 838862

IUPAC(4-chloro-3-nitrophenyl)-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1
InChIInChI=1S/C14H10ClNO3/c1-9-2-4-10(5-3-9)14(17)11-6-7-12(15)13(8-11)16(18)19/h2-8H,1H3
InChIKeyZRCRGBZPAADXJT-UHFFFAOYSA-N
MW275.69 g/mol
LogP3.79
Rot. Bonds3

About (4-chloro-3-nitrophenyl)-(4-methylphenyl)methanone

(4-chloro-3-nitrophenyl)-(4-methylphenyl)methanone (PubChem CID 838862) has the molecular formula C14H10ClNO3 and a molecular weight of 275.69 g/mol. Its IUPAC name is (4-chloro-3-nitrophenyl)-(4-methylphenyl)methanone.

Molecular Properties

Compound Name(4-chloro-3-nitrophenyl)-(4-methylphenyl)methanone
PubChem CID838862
Molecular FormulaC14H10ClNO3
Molecular Weight275.69 g/mol
Exact Mass275.03
IUPAC Name(4-chloro-3-nitrophenyl)-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1
InChIInChI=1S/C14H10ClNO3/c1-9-2-4-10(5-3-9)14(17)11-6-7-12(15)13(8-11)16(18)19/h2-8H,1H3
InChIKeyZRCRGBZPAADXJT-UHFFFAOYSA-N
XLogP3.79
TPSA60.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.69
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-(2-chloro-5-methylphenyl)-3-nitrobenzamide
CID 102504215
4-chloro-N-[(1R)-1-(4-methylphenyl)ethyl]-3-nitrobenzamide
CID 30397300
4-chloro-N-[1-(4-methylphenyl)ethylideneamino]-3-nitrobenzamide
CID 905379
bis(4-methyl-3-nitrophenyl)methanone
CID 2259929
4-chloro-N-[4-(4-methylphenoxy)phenyl]-3-nitrobenzamide
CID 2119680
4-chloro-3-nitrobenzohydrazide
CID 3704353
1-chloro-4-[(4-methylphenyl)methyl]-2-nitrobenzene
CID 59408136
1-(4-chloro-3-nitrophenyl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea
CID 108874513
1-(4-chloro-3-nitrophenyl)-2-(dimethylamino)ethanone
CID 170895974
4-chloro-3-nitrobenzamide;4-chloro-3-nitrobenzoic acid
CID 162263157
4-chloro-N-[4-[(4-chloro-3-nitrobenzoyl)amino]phenyl]-3-nitrobenzamide
CID 3385281
(2-chloro-5-fluorophenyl)-(4-methyl-3-nitrophenyl)methanone
CID 177201657

Frequently Asked Questions

What is the IUPAC name of (4-chloro-3-nitrophenyl)-(4-methylphenyl)methanone?
The IUPAC name of (4-chloro-3-nitrophenyl)-(4-methylphenyl)methanone (CID 838862) is (4-chloro-3-nitrophenyl)-(4-methylphenyl)methanone.
What is the SMILES notation for (4-chloro-3-nitrophenyl)-(4-methylphenyl)methanone?
The canonical SMILES for (4-chloro-3-nitrophenyl)-(4-methylphenyl)methanone is Cc1ccc(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1.
What is the InChIKey of (4-chloro-3-nitrophenyl)-(4-methylphenyl)methanone?
The InChIKey is ZRCRGBZPAADXJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClNO3/c1-9-2-4-10(5-3-9)14(17)11-6-7-12(15)13(8-11)16(18)19/h2-8H,1H3.
What are the key properties of (4-chloro-3-nitrophenyl)-(4-methylphenyl)methanone?
(4-chloro-3-nitrophenyl)-(4-methylphenyl)methanone has a molecular weight of 275.69 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-3-nitrophenyl)-(4-methylphenyl)methanone is sourced from PubChem (CID 838862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).