N-[(3-chloro-4-fluorophenyl)methyl]-4-fluoro-3-sulfanylbenzamide

C14H10ClF2NOS — CID 107028470

IUPACN-[(3-chloro-4-fluorophenyl)methyl]-4-fluoro-3-sulfanylbenzamide
SMILESO=C(NCc1ccc(F)c(Cl)c1)c1ccc(F)c(S)c1
InChIInChI=1S/C14H10ClF2NOS/c15-10-5-8(1-3-11(10)16)7-18-14(19)9-2-4-12(17)13(20)6-9/h1-6,20H,7H2,(H,18,19)
InChIKeyUQUKQURVNWWDPF-UHFFFAOYSA-N
MW313.76 g/mol
LogP3.84
Rot. Bonds3

About N-[(3-chloro-4-fluorophenyl)methyl]-4-fluoro-3-sulfanylbenzamide

N-[(3-chloro-4-fluorophenyl)methyl]-4-fluoro-3-sulfanylbenzamide (PubChem CID 107028470) has the molecular formula C14H10ClF2NOS and a molecular weight of 313.76 g/mol. Its IUPAC name is N-[(3-chloro-4-fluorophenyl)methyl]-4-fluoro-3-sulfanylbenzamide.

Molecular Properties

Compound NameN-[(3-chloro-4-fluorophenyl)methyl]-4-fluoro-3-sulfanylbenzamide
PubChem CID107028470
Molecular FormulaC14H10ClF2NOS
Molecular Weight313.76 g/mol
Exact Mass313.01
IUPAC NameN-[(3-chloro-4-fluorophenyl)methyl]-4-fluoro-3-sulfanylbenzamide
SMILESO=C(NCc1ccc(F)c(Cl)c1)c1ccc(F)c(S)c1
InChIInChI=1S/C14H10ClF2NOS/c15-10-5-8(1-3-11(10)16)7-18-14(19)9-2-4-12(17)13(20)6-9/h1-6,20H,7H2,(H,18,19)
InChIKeyUQUKQURVNWWDPF-UHFFFAOYSA-N
XLogP3.84
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.76
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

3-bromo-N-[(3-chloro-4-fluorophenyl)methyl]-4-fluorobenzamide
CID 103707226
N-[(3-chloro-4-fluorophenyl)methyl]-4-ethylbenzamide
CID 71822306
4-(aminomethyl)-N-[(3-chloro-4-fluorophenyl)methyl]benzamide
CID 62537954
N-[(3-chloro-4-fluorophenyl)methyl]benzamide
CID 62721837
3-chloro-4-fluoro-N-[(4-hydroxyphenyl)methyl]benzamide
CID 115731912
3-chloro-4-fluoro-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide
CID 107231671
4-amino-N-[(3-chloro-4-fluorophenyl)methyl]-3-hydroxybenzamide
CID 107075151
3-[(3-chloro-4-fluorophenyl)methylcarbamoyl]benzoic acid
CID 62532100
N-[[4-(aminomethyl)phenyl]methyl]-3-chloro-4-fluorobenzamide
CID 82880028
N-[(3-chloro-4-fluorophenyl)methyl]-2-fluoropyridine-4-carboxamide
CID 62537287
N-[(3-chloro-4-fluorophenyl)methyl]-6-oxo-1H-pyridine-3-carboxamide
CID 46921250
N-[(3-chloro-4-fluorophenyl)methyl]-1H-indole-5-carboxamide
CID 63718652

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-fluorophenyl)methyl]-4-fluoro-3-sulfanylbenzamide?
The IUPAC name of N-[(3-chloro-4-fluorophenyl)methyl]-4-fluoro-3-sulfanylbenzamide (CID 107028470) is N-[(3-chloro-4-fluorophenyl)methyl]-4-fluoro-3-sulfanylbenzamide.
What is the SMILES notation for N-[(3-chloro-4-fluorophenyl)methyl]-4-fluoro-3-sulfanylbenzamide?
The canonical SMILES for N-[(3-chloro-4-fluorophenyl)methyl]-4-fluoro-3-sulfanylbenzamide is O=C(NCc1ccc(F)c(Cl)c1)c1ccc(F)c(S)c1.
What is the InChIKey of N-[(3-chloro-4-fluorophenyl)methyl]-4-fluoro-3-sulfanylbenzamide?
The InChIKey is UQUKQURVNWWDPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF2NOS/c15-10-5-8(1-3-11(10)16)7-18-14(19)9-2-4-12(17)13(20)6-9/h1-6,20H,7H2,(H,18,19).
What are the key properties of N-[(3-chloro-4-fluorophenyl)methyl]-4-fluoro-3-sulfanylbenzamide?
N-[(3-chloro-4-fluorophenyl)methyl]-4-fluoro-3-sulfanylbenzamide has a molecular weight of 313.76 g/mol, XLogP of 3.84, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-fluorophenyl)methyl]-4-fluoro-3-sulfanylbenzamide is sourced from PubChem (CID 107028470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).