N-(2-chloro-4-formamidophenyl)-2-methylpropanamide

C11H13ClN2O2 — CID 168654137

IUPACN-(2-chloro-4-formamidophenyl)-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc(NC=O)cc1Cl
InChIInChI=1S/C11H13ClN2O2/c1-7(2)11(16)14-10-4-3-8(13-6-15)5-9(10)12/h3-7H,1-2H3,(H,13,15)(H,14,16)
InChIKeyMWLMJYGLMRQPHB-UHFFFAOYSA-N
MW240.69 g/mol
LogP2.50
Rot. Bonds4

About N-(2-chloro-4-formamidophenyl)-2-methylpropanamide

N-(2-chloro-4-formamidophenyl)-2-methylpropanamide (PubChem CID 168654137) has the molecular formula C11H13ClN2O2 and a molecular weight of 240.69 g/mol. Its IUPAC name is N-(2-chloro-4-formamidophenyl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(2-chloro-4-formamidophenyl)-2-methylpropanamide
PubChem CID168654137
Molecular FormulaC11H13ClN2O2
Molecular Weight240.69 g/mol
Exact Mass240.07
IUPAC NameN-(2-chloro-4-formamidophenyl)-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc(NC=O)cc1Cl
InChIInChI=1S/C11H13ClN2O2/c1-7(2)11(16)14-10-4-3-8(13-6-15)5-9(10)12/h3-7H,1-2H3,(H,13,15)(H,14,16)
InChIKeyMWLMJYGLMRQPHB-UHFFFAOYSA-N
XLogP2.50
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.69
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-(2-chloro-4-isocyanatophenyl)-2-methylpropanamide
CID 169353154
(1Z)-2-amino-N-[3-chloro-4-(2-methylpropanoylamino)anilino]-2-iminoethanimidoyl cyanide
CID 172977201
3-[[3-chloro-4-(2-methylpropanoylamino)phenyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 56762615
N-(2-chloro-4-nitrophenyl)-2-methylpropanamide
CID 3512908
2-amino-N-[3-chloro-4-(methanesulfonamido)phenyl]propanamide
CID 43711074
N-(4-acetamido-3-chlorophenyl)-2-methylbutanamide
CID 18149192
N-(4-amino-2-methylphenyl)-2-methylpropanamide
CID 960642
2-chloro-N-[2,4-difluoro-5-(2-fluoropropanoylamino)-3-phosphanylphenyl]-5-formamidobenzamide
CID 134441715
(2R)-2-amino-N-(2-chloro-4-methylphenyl)propanamide;hydrochloride
CID 119262651
2-bromo-N-(2-chloro-4-iodophenyl)propanamide
CID 107903978
N-(4-amino-2-chlorophenyl)-2-methoxypropanamide
CID 16788780
N-(2-chloro-4,5-dimethoxyphenyl)-2-methylpropanamide
CID 46568251

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-formamidophenyl)-2-methylpropanamide?
The IUPAC name of N-(2-chloro-4-formamidophenyl)-2-methylpropanamide (CID 168654137) is N-(2-chloro-4-formamidophenyl)-2-methylpropanamide.
What is the SMILES notation for N-(2-chloro-4-formamidophenyl)-2-methylpropanamide?
The canonical SMILES for N-(2-chloro-4-formamidophenyl)-2-methylpropanamide is CC(C)C(=O)Nc1ccc(NC=O)cc1Cl.
What is the InChIKey of N-(2-chloro-4-formamidophenyl)-2-methylpropanamide?
The InChIKey is MWLMJYGLMRQPHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O2/c1-7(2)11(16)14-10-4-3-8(13-6-15)5-9(10)12/h3-7H,1-2H3,(H,13,15)(H,14,16).
What are the key properties of N-(2-chloro-4-formamidophenyl)-2-methylpropanamide?
N-(2-chloro-4-formamidophenyl)-2-methylpropanamide has a molecular weight of 240.69 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-formamidophenyl)-2-methylpropanamide is sourced from PubChem (CID 168654137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).