N-[2-(3-chlorophenyl)-6-methylphenyl]formamide

C14H12ClNO — CID 102337971

IUPACN-[2-(3-chlorophenyl)-6-methylphenyl]formamide
SMILESCc1cccc(-c2cccc(Cl)c2)c1NC=O
InChIInChI=1S/C14H12ClNO/c1-10-4-2-7-13(14(10)16-9-17)11-5-3-6-12(15)8-11/h2-9H,1H3,(H,16,17)
InChIKeyXYQKHPUZVROYSY-UHFFFAOYSA-N
MW245.71 g/mol
LogP3.88
Rot. Bonds3

About N-[2-(3-chlorophenyl)-6-methylphenyl]formamide

N-[2-(3-chlorophenyl)-6-methylphenyl]formamide (PubChem CID 102337971) has the molecular formula C14H12ClNO and a molecular weight of 245.71 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)-6-methylphenyl]formamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)-6-methylphenyl]formamide
PubChem CID102337971
Molecular FormulaC14H12ClNO
Molecular Weight245.71 g/mol
Exact Mass245.06
IUPAC NameN-[2-(3-chlorophenyl)-6-methylphenyl]formamide
SMILESCc1cccc(-c2cccc(Cl)c2)c1NC=O
InChIInChI=1S/C14H12ClNO/c1-10-4-2-7-13(14(10)16-9-17)11-5-3-6-12(15)8-11/h2-9H,1H3,(H,16,17)
InChIKeyXYQKHPUZVROYSY-UHFFFAOYSA-N
XLogP3.88
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.71
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[2-methyl-6-[4-(trifluoromethyl)phenyl]phenyl]formamide
CID 102337966
2-(3,5-dichlorophenyl)-N,6-dimethylaniline
CID 170184256
1-chloro-3-(2-phenylphenyl)benzene
CID 69293962
2-chloro-1,3-bis(3-chlorophenyl)benzene
CID 54080795
2-(3-chlorophenyl)-6-fluorobenzaldehyde
CID 172993863
2-(2-bromoethoxy)-1-(3-chlorophenyl)-3-methylbenzene
CID 171037138
N-[3-methyl-2-(methylamino)phenyl]formamide
CID 142602610
4-(3-chlorophenyl)-2-methylaniline
CID 23005189
2-(3-chlorophenyl)-4,5-difluorobenzaldehyde
CID 172909463
3-(3-chlorophenyl)-1-(2-methylphenyl)pyrazole-4-carbaldehyde
CID 43324136
N-[1-(3-chlorophenyl)-4-methylpyrazol-3-yl]formamide
CID 57154308
1-(3-chlorophenyl)-2-(4-methylsulfonylphenyl)benzene
CID 23451389

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)-6-methylphenyl]formamide?
The IUPAC name of N-[2-(3-chlorophenyl)-6-methylphenyl]formamide (CID 102337971) is N-[2-(3-chlorophenyl)-6-methylphenyl]formamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)-6-methylphenyl]formamide?
The canonical SMILES for N-[2-(3-chlorophenyl)-6-methylphenyl]formamide is Cc1cccc(-c2cccc(Cl)c2)c1NC=O.
What is the InChIKey of N-[2-(3-chlorophenyl)-6-methylphenyl]formamide?
The InChIKey is XYQKHPUZVROYSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO/c1-10-4-2-7-13(14(10)16-9-17)11-5-3-6-12(15)8-11/h2-9H,1H3,(H,16,17).
What are the key properties of N-[2-(3-chlorophenyl)-6-methylphenyl]formamide?
N-[2-(3-chlorophenyl)-6-methylphenyl]formamide has a molecular weight of 245.71 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)-6-methylphenyl]formamide is sourced from PubChem (CID 102337971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).