N-(3-chloro-2-methyl-4-nitrophenyl)formamide

C8H7ClN2O3 — CID 168654498

IUPACN-(3-chloro-2-methyl-4-nitrophenyl)formamide
SMILESCc1c(NC=O)ccc([N+](=O)[O-])c1Cl
InChIInChI=1S/C8H7ClN2O3/c1-5-6(10-4-12)2-3-7(8(5)9)11(13)14/h2-4H,1H3,(H,10,12)
InChIKeyNOSPWFGLKVSMTL-UHFFFAOYSA-N
MW214.61 g/mol
LogP2.12
Rot. Bonds3

About N-(3-chloro-2-methyl-4-nitrophenyl)formamide

N-(3-chloro-2-methyl-4-nitrophenyl)formamide (PubChem CID 168654498) has the molecular formula C8H7ClN2O3 and a molecular weight of 214.61 g/mol. Its IUPAC name is N-(3-chloro-2-methyl-4-nitrophenyl)formamide.

Molecular Properties

Compound NameN-(3-chloro-2-methyl-4-nitrophenyl)formamide
PubChem CID168654498
Molecular FormulaC8H7ClN2O3
Molecular Weight214.61 g/mol
Exact Mass214.01
IUPAC NameN-(3-chloro-2-methyl-4-nitrophenyl)formamide
SMILESCc1c(NC=O)ccc([N+](=O)[O-])c1Cl
InChIInChI=1S/C8H7ClN2O3/c1-5-6(10-4-12)2-3-7(8(5)9)11(13)14/h2-4H,1H3,(H,10,12)
InChIKeyNOSPWFGLKVSMTL-UHFFFAOYSA-N
XLogP2.12
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.61
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', '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

3-chloro-2-methyl-4-nitrobenzonitrile
CID 130952472
N-(5-chloro-4-methyl-2-nitrophenyl)formamide
CID 168653069
3-chloro-1-fluoro-2-methyl-4-nitrobenzene
CID 13251509
2-chloro-6-methyl-3-nitrobenzaldehyde
CID 119014184
6-chloro-2-methyl-3-nitrobenzaldehyde
CID 130848770
(3-chloro-2-methyl-4-nitrophenyl)methanamine
CID 130938681
2,4-dichloro-3-methyl-1,5-dinitrobenzene
CID 619578
N-(2-chloro-4-fluoro-3-methylphenyl)formamide
CID 168651882
methyl 2-fluoro-6-formamido-3-nitrobenzoate
CID 168653336
N-(2,3-dimethyl-4-nitrophenyl)acetamide
CID 2931975
3-chloro-2-methyl-6-nitrobenzaldehyde
CID 130966517
4-formamido-3-nitrobenzenesulfonic acid
CID 168651241

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methyl-4-nitrophenyl)formamide?
The IUPAC name of N-(3-chloro-2-methyl-4-nitrophenyl)formamide (CID 168654498) is N-(3-chloro-2-methyl-4-nitrophenyl)formamide.
What is the SMILES notation for N-(3-chloro-2-methyl-4-nitrophenyl)formamide?
The canonical SMILES for N-(3-chloro-2-methyl-4-nitrophenyl)formamide is Cc1c(NC=O)ccc([N+](=O)[O-])c1Cl.
What is the InChIKey of N-(3-chloro-2-methyl-4-nitrophenyl)formamide?
The InChIKey is NOSPWFGLKVSMTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN2O3/c1-5-6(10-4-12)2-3-7(8(5)9)11(13)14/h2-4H,1H3,(H,10,12).
What are the key properties of N-(3-chloro-2-methyl-4-nitrophenyl)formamide?
N-(3-chloro-2-methyl-4-nitrophenyl)formamide has a molecular weight of 214.61 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methyl-4-nitrophenyl)formamide is sourced from PubChem (CID 168654498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).