5-chloro-N-[(3-chlorophenyl)methyl]-2-fluorobenzamide

C14H10Cl2FNO — CID 9079628

IUPAC5-chloro-N-[(3-chlorophenyl)methyl]-2-fluorobenzamide
SMILESO=C(NCc1cccc(Cl)c1)c1cc(Cl)ccc1F
InChIInChI=1S/C14H10Cl2FNO/c15-10-3-1-2-9(6-10)8-18-14(19)12-7-11(16)4-5-13(12)17/h1-7H,8H2,(H,18,19)
InChIKeyKQHIZSUULKORDM-UHFFFAOYSA-N
MW298.14 g/mol
LogP4.06
Rot. Bonds3

About 5-chloro-N-[(3-chlorophenyl)methyl]-2-fluorobenzamide

5-chloro-N-[(3-chlorophenyl)methyl]-2-fluorobenzamide (PubChem CID 9079628) has the molecular formula C14H10Cl2FNO and a molecular weight of 298.14 g/mol. Its IUPAC name is 5-chloro-N-[(3-chlorophenyl)methyl]-2-fluorobenzamide.

Molecular Properties

Compound Name5-chloro-N-[(3-chlorophenyl)methyl]-2-fluorobenzamide
PubChem CID9079628
Molecular FormulaC14H10Cl2FNO
Molecular Weight298.14 g/mol
Exact Mass297.01
IUPAC Name5-chloro-N-[(3-chlorophenyl)methyl]-2-fluorobenzamide
SMILESO=C(NCc1cccc(Cl)c1)c1cc(Cl)ccc1F
InChIInChI=1S/C14H10Cl2FNO/c15-10-3-1-2-9(6-10)8-18-14(19)12-7-11(16)4-5-13(12)17/h1-7H,8H2,(H,18,19)
InChIKeyKQHIZSUULKORDM-UHFFFAOYSA-N
XLogP4.06
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.14
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-chloro-2-fluoro-N-[(3-methoxyphenyl)methyl]benzamide
CID 9088202
2-chloro-N-[(3-chlorophenyl)methyl]-6-fluorobenzamide
CID 2679700
N-[(3-chlorophenyl)methyl]-2-fluoro-6-hydroxybenzamide
CID 104916625
2-amino-4-chloro-N-[(3-chlorophenyl)methyl]benzamide
CID 61111340
N-[(3-chlorophenyl)methyl]-3,4,5-trifluorobenzamide
CID 63188835
N-[(3-chlorophenyl)methyl]-4-fluoro-2-hydroxybenzamide
CID 103829577
N-[(3-chlorophenyl)methyl]-2-hydroxybenzamide
CID 18105910
5-chloro-2-fluoro-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide
CID 107230315
2-bromo-N-[(3-chlorophenyl)methyl]-4-fluorobenzamide
CID 9209881
N-[(3-chlorophenyl)methyl]-4-fluoro-2-methylbenzamide
CID 113268545
2,3-dichloro-N-[(3-chlorophenyl)methyl]benzamide
CID 17071308
2,4-dichloro-N-[(3-fluorophenyl)methyl]benzamide
CID 127502749

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(3-chlorophenyl)methyl]-2-fluorobenzamide?
The IUPAC name of 5-chloro-N-[(3-chlorophenyl)methyl]-2-fluorobenzamide (CID 9079628) is 5-chloro-N-[(3-chlorophenyl)methyl]-2-fluorobenzamide.
What is the SMILES notation for 5-chloro-N-[(3-chlorophenyl)methyl]-2-fluorobenzamide?
The canonical SMILES for 5-chloro-N-[(3-chlorophenyl)methyl]-2-fluorobenzamide is O=C(NCc1cccc(Cl)c1)c1cc(Cl)ccc1F.
What is the InChIKey of 5-chloro-N-[(3-chlorophenyl)methyl]-2-fluorobenzamide?
The InChIKey is KQHIZSUULKORDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2FNO/c15-10-3-1-2-9(6-10)8-18-14(19)12-7-11(16)4-5-13(12)17/h1-7H,8H2,(H,18,19).
What are the key properties of 5-chloro-N-[(3-chlorophenyl)methyl]-2-fluorobenzamide?
5-chloro-N-[(3-chlorophenyl)methyl]-2-fluorobenzamide has a molecular weight of 298.14 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(3-chlorophenyl)methyl]-2-fluorobenzamide is sourced from PubChem (CID 9079628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).