N-(2-benzyl-3-chlorophenyl)formamide

C14H12ClNO — CID 19426648

IUPACN-(2-benzyl-3-chlorophenyl)formamide
SMILESO=CNc1cccc(Cl)c1Cc1ccccc1
InChIInChI=1S/C14H12ClNO/c15-13-7-4-8-14(16-10-17)12(13)9-11-5-2-1-3-6-11/h1-8,10H,9H2,(H,16,17)
InChIKeyBIVHQEZPGZQKNI-UHFFFAOYSA-N
MW245.71 g/mol
LogP3.50
Rot. Bonds4

About N-(2-benzyl-3-chlorophenyl)formamide

N-(2-benzyl-3-chlorophenyl)formamide (PubChem CID 19426648) has the molecular formula C14H12ClNO and a molecular weight of 245.71 g/mol. Its IUPAC name is N-(2-benzyl-3-chlorophenyl)formamide.

Molecular Properties

Compound NameN-(2-benzyl-3-chlorophenyl)formamide
PubChem CID19426648
Molecular FormulaC14H12ClNO
Molecular Weight245.71 g/mol
Exact Mass245.06
IUPAC NameN-(2-benzyl-3-chlorophenyl)formamide
SMILESO=CNc1cccc(Cl)c1Cc1ccccc1
InChIInChI=1S/C14H12ClNO/c15-13-7-4-8-14(16-10-17)12(13)9-11-5-2-1-3-6-11/h1-8,10H,9H2,(H,16,17)
InChIKeyBIVHQEZPGZQKNI-UHFFFAOYSA-N
XLogP3.50
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.71
LogP ≤ 53.50
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-bromo-3-chlorophenyl)formamide
CID 103480075
2-benzyl-1-(bromomethyl)-3-chlorobenzene
CID 154147704
2-benzyl-3-chlorobenzamide
CID 23225157
N-[2-[(2-formamidophenyl)methyl]phenyl]formamide
CID 54221440
N-[3-[3-benzyl-5-(hydroxymethyl)-1,2,4-triazol-4-yl]-2-(2-chlorobenzoyl)phenyl]formamide
CID 21496169
N-[3-chloro-2-(diethylamino)phenyl]formamide
CID 168653404
N-(2-ethyltellanylphenyl)formamide
CID 13214788
2-benzyl-1,3-dichlorobenzene;bromobenzene;N-(2,6-dichlorophenyl)acetamide;methane
CID 160641235
2-chloro-N-(1-phenylpropan-2-yl)benzamide;N-quinolin-5-ylformamide
CID 144901091
N-benzyl-2-bromo-3-chloroaniline
CID 103477865
2-chloro-N-(1-phenylpropan-2-yl)benzamide;N-[2-(difluoromethoxy)phenyl]formamide
CID 144900997
N-(5-chloro-9-oxo-10H-acridin-4-yl)formamide
CID 168651697

Frequently Asked Questions

What is the IUPAC name of N-(2-benzyl-3-chlorophenyl)formamide?
The IUPAC name of N-(2-benzyl-3-chlorophenyl)formamide (CID 19426648) is N-(2-benzyl-3-chlorophenyl)formamide.
What is the SMILES notation for N-(2-benzyl-3-chlorophenyl)formamide?
The canonical SMILES for N-(2-benzyl-3-chlorophenyl)formamide is O=CNc1cccc(Cl)c1Cc1ccccc1.
What is the InChIKey of N-(2-benzyl-3-chlorophenyl)formamide?
The InChIKey is BIVHQEZPGZQKNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO/c15-13-7-4-8-14(16-10-17)12(13)9-11-5-2-1-3-6-11/h1-8,10H,9H2,(H,16,17).
What are the key properties of N-(2-benzyl-3-chlorophenyl)formamide?
N-(2-benzyl-3-chlorophenyl)formamide has a molecular weight of 245.71 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzyl-3-chlorophenyl)formamide is sourced from PubChem (CID 19426648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).