3-chloro-N-(2-methyl-5-nitrophenyl)propanamide

C10H11ClN2O3 — CID 4159134

IUPAC3-chloro-N-(2-methyl-5-nitrophenyl)propanamide
SMILESCc1ccc([N+](=O)[O-])cc1NC(=O)CCCl
InChIInChI=1S/C10H11ClN2O3/c1-7-2-3-8(13(15)16)6-9(7)12-10(14)4-5-11/h2-3,6H,4-5H2,1H3,(H,12,14)
InChIKeyQBQQMOMVEZGHTF-UHFFFAOYSA-N
MW242.66 g/mol
LogP2.47
Rot. Bonds4

About 3-chloro-N-(2-methyl-5-nitrophenyl)propanamide

3-chloro-N-(2-methyl-5-nitrophenyl)propanamide (PubChem CID 4159134) has the molecular formula C10H11ClN2O3 and a molecular weight of 242.66 g/mol. Its IUPAC name is 3-chloro-N-(2-methyl-5-nitrophenyl)propanamide.

Molecular Properties

Compound Name3-chloro-N-(2-methyl-5-nitrophenyl)propanamide
PubChem CID4159134
Molecular FormulaC10H11ClN2O3
Molecular Weight242.66 g/mol
Exact Mass242.05
IUPAC Name3-chloro-N-(2-methyl-5-nitrophenyl)propanamide
SMILESCc1ccc([N+](=O)[O-])cc1NC(=O)CCCl
InChIInChI=1S/C10H11ClN2O3/c1-7-2-3-8(13(15)16)6-9(7)12-10(14)4-5-11/h2-3,6H,4-5H2,1H3,(H,12,14)
InChIKeyQBQQMOMVEZGHTF-UHFFFAOYSA-N
XLogP2.47
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.66
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', '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

N,N'-bis(2-methyl-5-nitrophenyl)nonanediamide
CID 4508002
3-(2-chlorophenyl)-N-(2-methyl-5-nitrophenyl)propanamide
CID 17178933
2-chloroethyl N-(2-methyl-5-nitrophenyl)carbamate
CID 4140211
3-(4-chlorophenoxy)-N-(2-methyl-5-nitrophenyl)propanamide
CID 108802892
2-tert-butylsulfanyl-N-(2-methyl-5-nitrophenyl)acetamide
CID 39753459
3-[ethyl(2-hydroxyethyl)amino]-N-(2-methyl-5-nitrophenyl)propanamide
CID 75405381
N-(2-methyl-5-nitrophenyl)-2-(prop-2-enylamino)acetamide
CID 71627698
4-(chloromethyl)-N-(2-methyl-5-nitrophenyl)benzamide
CID 22291073
2-(4-chloro-3,5-dimethylphenoxy)-N-(2-methyl-5-nitrophenyl)acetamide
CID 918188
3-[(4-bromophenyl)sulfonylamino]-N-(2-methyl-5-nitrophenyl)propanamide
CID 17192374
1-ethyl-3-(2-methyl-5-nitrophenyl)urea
CID 103600891
2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N-(2-methyl-5-nitrophenyl)acetamide
CID 8712213

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-methyl-5-nitrophenyl)propanamide?
The IUPAC name of 3-chloro-N-(2-methyl-5-nitrophenyl)propanamide (CID 4159134) is 3-chloro-N-(2-methyl-5-nitrophenyl)propanamide.
What is the SMILES notation for 3-chloro-N-(2-methyl-5-nitrophenyl)propanamide?
The canonical SMILES for 3-chloro-N-(2-methyl-5-nitrophenyl)propanamide is Cc1ccc([N+](=O)[O-])cc1NC(=O)CCCl.
What is the InChIKey of 3-chloro-N-(2-methyl-5-nitrophenyl)propanamide?
The InChIKey is QBQQMOMVEZGHTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O3/c1-7-2-3-8(13(15)16)6-9(7)12-10(14)4-5-11/h2-3,6H,4-5H2,1H3,(H,12,14).
What are the key properties of 3-chloro-N-(2-methyl-5-nitrophenyl)propanamide?
3-chloro-N-(2-methyl-5-nitrophenyl)propanamide has a molecular weight of 242.66 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-methyl-5-nitrophenyl)propanamide is sourced from PubChem (CID 4159134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).