N-(5-chloro-4-methyl-2-nitrophenyl)formamide

C8H7ClN2O3 — CID 168653069

IUPACN-(5-chloro-4-methyl-2-nitrophenyl)formamide
SMILESCc1cc([N+](=O)[O-])c(NC=O)cc1Cl
InChIInChI=1S/C8H7ClN2O3/c1-5-2-8(11(13)14)7(10-4-12)3-6(5)9/h2-4H,1H3,(H,10,12)
InChIKeyVUHISARLUNXGKJ-UHFFFAOYSA-N
MW214.61 g/mol
LogP2.12
Rot. Bonds3

About N-(5-chloro-4-methyl-2-nitrophenyl)formamide

N-(5-chloro-4-methyl-2-nitrophenyl)formamide (PubChem CID 168653069) has the molecular formula C8H7ClN2O3 and a molecular weight of 214.61 g/mol. Its IUPAC name is N-(5-chloro-4-methyl-2-nitrophenyl)formamide.

Molecular Properties

Compound NameN-(5-chloro-4-methyl-2-nitrophenyl)formamide
PubChem CID168653069
Molecular FormulaC8H7ClN2O3
Molecular Weight214.61 g/mol
Exact Mass214.01
IUPAC NameN-(5-chloro-4-methyl-2-nitrophenyl)formamide
SMILESCc1cc([N+](=O)[O-])c(NC=O)cc1Cl
InChIInChI=1S/C8H7ClN2O3/c1-5-2-8(11(13)14)7(10-4-12)3-6(5)9/h2-4H,1H3,(H,10,12)
InChIKeyVUHISARLUNXGKJ-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

5-chloro-N-ethyl-4-methyl-2-nitroaniline
CID 174646786
N-[4-chloro-2-nitro-5-(trifluoromethyl)phenyl]formamide
CID 168651175
5-chloro-4-methyl-2-nitro-N-phenylaniline
CID 67032404
2-[(5-chloro-4-methyl-2-nitrophenyl)hydrazinylidene]propanedinitrile
CID 169337608
N-(5-methoxy-2-methyl-4-nitrophenyl)formamide
CID 168654239
N-[4-(2-hydroxyethyl)-5-methyl-2-nitrophenyl]formamide
CID 144842901
N-(3-chloro-2-methyl-4-nitrophenyl)formamide
CID 168654498
N-(5-chloro-4-methyl-2-nitrophenyl)piperidin-4-amine
CID 70315784
N-(5-bromo-4-fluoro-2-nitrophenyl)formamide
CID 168651397
1-chloro-4-methyl-2-nitro-5-(sulfamoylamino)benzene
CID 104668379
5-chloro-2-methyl-N-(3-methyl-2-propan-2-ylbutyl)-4-nitroaniline
CID 102913843
5-chloro-N-[(2,6-dichlorophenyl)methyl]-2-methyl-4-nitroaniline
CID 104667866

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-4-methyl-2-nitrophenyl)formamide?
The IUPAC name of N-(5-chloro-4-methyl-2-nitrophenyl)formamide (CID 168653069) is N-(5-chloro-4-methyl-2-nitrophenyl)formamide.
What is the SMILES notation for N-(5-chloro-4-methyl-2-nitrophenyl)formamide?
The canonical SMILES for N-(5-chloro-4-methyl-2-nitrophenyl)formamide is Cc1cc([N+](=O)[O-])c(NC=O)cc1Cl.
What is the InChIKey of N-(5-chloro-4-methyl-2-nitrophenyl)formamide?
The InChIKey is VUHISARLUNXGKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN2O3/c1-5-2-8(11(13)14)7(10-4-12)3-6(5)9/h2-4H,1H3,(H,10,12).
What are the key properties of N-(5-chloro-4-methyl-2-nitrophenyl)formamide?
N-(5-chloro-4-methyl-2-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-(5-chloro-4-methyl-2-nitrophenyl)formamide is sourced from PubChem (CID 168653069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).