N-(4-chloro-2-cyclopropyl-5-methoxyphenyl)formamide

C11H12ClNO2 — CID 168652048

IUPACN-(4-chloro-2-cyclopropyl-5-methoxyphenyl)formamide
SMILESCOc1cc(NC=O)c(C2CC2)cc1Cl
InChIInChI=1S/C11H12ClNO2/c1-15-11-5-10(13-6-14)8(4-9(11)12)7-2-3-7/h4-7H,2-3H2,1H3,(H,13,14)
InChIKeyWIJNWAMRHUWPOY-UHFFFAOYSA-N
MW225.68 g/mol
LogP2.79
Rot. Bonds4

About N-(4-chloro-2-cyclopropyl-5-methoxyphenyl)formamide

N-(4-chloro-2-cyclopropyl-5-methoxyphenyl)formamide (PubChem CID 168652048) has the molecular formula C11H12ClNO2 and a molecular weight of 225.68 g/mol. Its IUPAC name is N-(4-chloro-2-cyclopropyl-5-methoxyphenyl)formamide.

Molecular Properties

Compound NameN-(4-chloro-2-cyclopropyl-5-methoxyphenyl)formamide
PubChem CID168652048
Molecular FormulaC11H12ClNO2
Molecular Weight225.68 g/mol
Exact Mass225.06
IUPAC NameN-(4-chloro-2-cyclopropyl-5-methoxyphenyl)formamide
SMILESCOc1cc(NC=O)c(C2CC2)cc1Cl
InChIInChI=1S/C11H12ClNO2/c1-15-11-5-10(13-6-14)8(4-9(11)12)7-2-3-7/h4-7H,2-3H2,1H3,(H,13,14)
InChIKeyWIJNWAMRHUWPOY-UHFFFAOYSA-N
XLogP2.79
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.68
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(4-chloro-2-cyclopropyl-5-methoxyphenyl)formamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-bromo-4-chloro-5-methoxyphenyl)formamide
CID 168654011
3-(5-chloro-2-ethyl-4-methoxyphenyl)pyrrolidine
CID 84701649
2-(4-chloro-2,5-dimethoxyanilino)acetonitrile
CID 28572786
N-(4-chloro-2,5-dimethoxyphenyl)pyrrolidine-1-sulfonamide
CID 110705880
5-chloro-2,4-dimethoxy-N-methylaniline
CID 28576065
N-(4-chloro-2,5-dimethoxyphenyl)prop-2-enamide
CID 43616303
N-(4-chloro-2,5-dimethoxyphenyl)thiane-4-carboxamide
CID 110864457
4-chloro-2,5-dimethoxy-N-(2-methylcyclohexyl)aniline
CID 43109970
N-(4-chloro-2,5-dimethoxyphenyl)but-2-enamide
CID 2839569
N-(4-chloro-2,5-dimethoxyphenyl)-3-methylbut-2-enamide
CID 19177485
(E)-N-(4-chloro-2,5-dimethoxyphenyl)-3-(4-hydroxyphenyl)prop-2-enamide
CID 84551958
N-[4-(dimethylamino)-2-methoxyphenyl]formamide
CID 168653974

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-cyclopropyl-5-methoxyphenyl)formamide?
The IUPAC name of N-(4-chloro-2-cyclopropyl-5-methoxyphenyl)formamide (CID 168652048) is N-(4-chloro-2-cyclopropyl-5-methoxyphenyl)formamide.
What is the SMILES notation for N-(4-chloro-2-cyclopropyl-5-methoxyphenyl)formamide?
The canonical SMILES for N-(4-chloro-2-cyclopropyl-5-methoxyphenyl)formamide is COc1cc(NC=O)c(C2CC2)cc1Cl.
What is the InChIKey of N-(4-chloro-2-cyclopropyl-5-methoxyphenyl)formamide?
The InChIKey is WIJNWAMRHUWPOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO2/c1-15-11-5-10(13-6-14)8(4-9(11)12)7-2-3-7/h4-7H,2-3H2,1H3,(H,13,14).
What are the key properties of N-(4-chloro-2-cyclopropyl-5-methoxyphenyl)formamide?
N-(4-chloro-2-cyclopropyl-5-methoxyphenyl)formamide has a molecular weight of 225.68 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-cyclopropyl-5-methoxyphenyl)formamide is sourced from PubChem (CID 168652048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).