2-chloro-N-(3-chloro-2-methylphenyl)-5-nitrobenzamide

C14H10Cl2N2O3 — CID 2323396

IUPAC2-chloro-N-(3-chloro-2-methylphenyl)-5-nitrobenzamide
SMILESCc1c(Cl)cccc1NC(=O)c1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C14H10Cl2N2O3/c1-8-11(15)3-2-4-13(8)17-14(19)10-7-9(18(20)21)5-6-12(10)16/h2-7H,1H3,(H,17,19)
InChIKeyUGZCFENTIHORTE-UHFFFAOYSA-N
MW325.15 g/mol
LogP4.46
Rot. Bonds3

About 2-chloro-N-(3-chloro-2-methylphenyl)-5-nitrobenzamide

2-chloro-N-(3-chloro-2-methylphenyl)-5-nitrobenzamide (PubChem CID 2323396) has the molecular formula C14H10Cl2N2O3 and a molecular weight of 325.15 g/mol. Its IUPAC name is 2-chloro-N-(3-chloro-2-methylphenyl)-5-nitrobenzamide.

Molecular Properties

Compound Name2-chloro-N-(3-chloro-2-methylphenyl)-5-nitrobenzamide
PubChem CID2323396
Molecular FormulaC14H10Cl2N2O3
Molecular Weight325.15 g/mol
Exact Mass324.01
IUPAC Name2-chloro-N-(3-chloro-2-methylphenyl)-5-nitrobenzamide
SMILESCc1c(Cl)cccc1NC(=O)c1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C14H10Cl2N2O3/c1-8-11(15)3-2-4-13(8)17-14(19)10-7-9(18(20)21)5-6-12(10)16/h2-7H,1H3,(H,17,19)
InChIKeyUGZCFENTIHORTE-UHFFFAOYSA-N
XLogP4.46
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.15
LogP ≤ 54.46
H-Bond Donors ≤ 51
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

3-chloro-N-(2-hydroxy-4-nitrophenyl)-2-methylbenzamide
CID 107745088
2-chloro-N-(2-chloro-4-nitrophenyl)-5-nitrobenzamide
CID 4594592
3-[(2-chloro-4-nitrobenzoyl)amino]-2-methylbenzoic acid
CID 28671552
2-chloro-N-(3-chloro-2-piperidin-1-ylphenyl)-5-nitrobenzamide
CID 3596700
N-(3-chloro-2-methylphenyl)-2-(4-nitrophenyl)acetamide
CID 772340
3-chloro-N-(2-methyl-5-nitrophenyl)-2-nitrobenzamide
CID 22238135
2-chloro-N-(2-methyl-3-nitrophenyl)-3,5-dinitrobenzamide
CID 4633766
N-[3-chloro-2-(dimethylamino)phenyl]-2-iodo-5-nitrobenzamide
CID 55762753
N-(5-bromo-2-chlorophenyl)-2-chloro-5-nitrobenzamide
CID 62908559
N-(2-chloro-6-methylphenyl)-2-iodo-5-nitrobenzamide
CID 66255521
2-chloro-N-(2-methyl-3-nitrophenyl)-5-methylsulfonylbenzamide
CID 43012309
2-[(2-chlorobenzoyl)amino]-5-nitrobenzoic acid
CID 16776660

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-chloro-2-methylphenyl)-5-nitrobenzamide?
The IUPAC name of 2-chloro-N-(3-chloro-2-methylphenyl)-5-nitrobenzamide (CID 2323396) is 2-chloro-N-(3-chloro-2-methylphenyl)-5-nitrobenzamide.
What is the SMILES notation for 2-chloro-N-(3-chloro-2-methylphenyl)-5-nitrobenzamide?
The canonical SMILES for 2-chloro-N-(3-chloro-2-methylphenyl)-5-nitrobenzamide is Cc1c(Cl)cccc1NC(=O)c1cc([N+](=O)[O-])ccc1Cl.
What is the InChIKey of 2-chloro-N-(3-chloro-2-methylphenyl)-5-nitrobenzamide?
The InChIKey is UGZCFENTIHORTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N2O3/c1-8-11(15)3-2-4-13(8)17-14(19)10-7-9(18(20)21)5-6-12(10)16/h2-7H,1H3,(H,17,19).
What are the key properties of 2-chloro-N-(3-chloro-2-methylphenyl)-5-nitrobenzamide?
2-chloro-N-(3-chloro-2-methylphenyl)-5-nitrobenzamide has a molecular weight of 325.15 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-chloro-2-methylphenyl)-5-nitrobenzamide is sourced from PubChem (CID 2323396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).