N-(3-chloro-4-fluorophenyl)-4-fluoro-3-methylbenzamide;formaldehyde

C16H14ClF2NO3 — CID 144890602

IUPACN-(3-chloro-4-fluorophenyl)-4-fluoro-3-methylbenzamide;formaldehyde
SMILESC=O.C=O.Cc1cc(C(=O)Nc2ccc(F)c(Cl)c2)ccc1F
InChIInChI=1S/C14H10ClF2NO.2CH2O/c1-8-6-9(2-4-12(8)16)14(19)18-10-3-5-13(17)11(15)7-10;2*1-2/h2-7H,1H3,(H,18,19);2*1H2
InChIKeyGIHFZJSSOXWMFH-UHFFFAOYSA-N
MW341.74 g/mol
LogP3.81
Rot. Bonds2

About N-(3-chloro-4-fluorophenyl)-4-fluoro-3-methylbenzamide;formaldehyde

N-(3-chloro-4-fluorophenyl)-4-fluoro-3-methylbenzamide;formaldehyde (PubChem CID 144890602) has the molecular formula C16H14ClF2NO3 and a molecular weight of 341.74 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-4-fluoro-3-methylbenzamide;formaldehyde.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-4-fluoro-3-methylbenzamide;formaldehyde
PubChem CID144890602
Molecular FormulaC16H14ClF2NO3
Molecular Weight341.74 g/mol
Exact Mass341.06
IUPAC NameN-(3-chloro-4-fluorophenyl)-4-fluoro-3-methylbenzamide;formaldehyde
SMILESC=O.C=O.Cc1cc(C(=O)Nc2ccc(F)c(Cl)c2)ccc1F
InChIInChI=1S/C14H10ClF2NO.2CH2O/c1-8-6-9(2-4-12(8)16)14(19)18-10-3-5-13(17)11(15)7-10;2*1-2/h2-7H,1H3,(H,18,19);2*1H2
InChIKeyGIHFZJSSOXWMFH-UHFFFAOYSA-N
XLogP3.81
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.74
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-4-fluorophenyl)-4-hydrazinyl-3-methylbenzamide
CID 63211979
N-(3-chloro-4-fluorophenyl)-3,5-dimethylbenzamide
CID 918547
4-[(3-chloro-4-fluorophenyl)carbamoyl]benzoic acid
CID 43386528
N-(3-chloro-4-fluorophenyl)-4-methylsulfinylbenzamide
CID 51191615
4-chloro-N-(3-chloro-4-fluorophenyl)-3-sulfanylbenzamide
CID 167246589
N-(6-chloro-3-pyridinyl)-4-fluoro-3-methylbenzamide
CID 78929782
N-(3-amino-4-fluorophenyl)-4-chloro-3-methylbenzamide
CID 115736624
N-(3-chloro-4-fluorophenyl)-2,4-dimethylbenzamide
CID 969420
N-(3-chloro-4-fluorophenyl)-4-(trifluoromethyl)benzamide
CID 2083480
N-(3,4-dimethoxyphenyl)-4-fluoro-3-methylbenzamide
CID 63212434
4-amino-N-(3-chloro-4-fluorophenyl)-3,5-difluorobenzamide
CID 63187581
N-(3-chloro-4-fluorophenyl)-3,4-diethoxybenzamide
CID 3371739

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-4-fluoro-3-methylbenzamide;formaldehyde?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-4-fluoro-3-methylbenzamide;formaldehyde (CID 144890602) is N-(3-chloro-4-fluorophenyl)-4-fluoro-3-methylbenzamide;formaldehyde.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-4-fluoro-3-methylbenzamide;formaldehyde?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-4-fluoro-3-methylbenzamide;formaldehyde is C=O.C=O.Cc1cc(C(=O)Nc2ccc(F)c(Cl)c2)ccc1F.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-4-fluoro-3-methylbenzamide;formaldehyde?
The InChIKey is GIHFZJSSOXWMFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF2NO.2CH2O/c1-8-6-9(2-4-12(8)16)14(19)18-10-3-5-13(17)11(15)7-10;2*1-2/h2-7H,1H3,(H,18,19);2*1H2.
What are the key properties of N-(3-chloro-4-fluorophenyl)-4-fluoro-3-methylbenzamide;formaldehyde?
N-(3-chloro-4-fluorophenyl)-4-fluoro-3-methylbenzamide;formaldehyde has a molecular weight of 341.74 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-4-fluoro-3-methylbenzamide;formaldehyde is sourced from PubChem (CID 144890602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).