N-(4-chloro-3-fluorophenyl)-2-(propan-2-ylamino)benzamide

C16H16ClFN2O — CID 63107936

IUPACN-(4-chloro-3-fluorophenyl)-2-(propan-2-ylamino)benzamide
SMILESCC(C)Nc1ccccc1C(=O)Nc1ccc(Cl)c(F)c1
InChIInChI=1S/C16H16ClFN2O/c1-10(2)19-15-6-4-3-5-12(15)16(21)20-11-7-8-13(17)14(18)9-11/h3-10,19H,1-2H3,(H,20,21)
InChIKeyYBWUJNRPXRQXDW-UHFFFAOYSA-N
MW306.77 g/mol
LogP4.55
Rot. Bonds4

About N-(4-chloro-3-fluorophenyl)-2-(propan-2-ylamino)benzamide

N-(4-chloro-3-fluorophenyl)-2-(propan-2-ylamino)benzamide (PubChem CID 63107936) has the molecular formula C16H16ClFN2O and a molecular weight of 306.77 g/mol. Its IUPAC name is N-(4-chloro-3-fluorophenyl)-2-(propan-2-ylamino)benzamide.

Molecular Properties

Compound NameN-(4-chloro-3-fluorophenyl)-2-(propan-2-ylamino)benzamide
PubChem CID63107936
Molecular FormulaC16H16ClFN2O
Molecular Weight306.77 g/mol
Exact Mass306.09
IUPAC NameN-(4-chloro-3-fluorophenyl)-2-(propan-2-ylamino)benzamide
SMILESCC(C)Nc1ccccc1C(=O)Nc1ccc(Cl)c(F)c1
InChIInChI=1S/C16H16ClFN2O/c1-10(2)19-15-6-4-3-5-12(15)16(21)20-11-7-8-13(17)14(18)9-11/h3-10,19H,1-2H3,(H,20,21)
InChIKeyYBWUJNRPXRQXDW-UHFFFAOYSA-N
XLogP4.55
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.77
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-chloro-3-fluorophenyl)-2-(ethylamino)benzamide
CID 62177542
N-(4-chloro-3-fluorophenyl)-2-iodobenzamide
CID 47227907
2-bromo-N-(4-chloro-3-fluorophenyl)benzamide
CID 47227901
methyl 2-[2-[(4-chloro-3-fluorophenyl)carbamoyl]phenyl]sulfanylpropanoate
CID 55881305
N-(4-chloro-3-fluorophenyl)-2-iodo-3-methylbenzamide
CID 47227866
N-(4-chloro-3-fluorophenyl)-3-(methylamino)pyridine-4-carboxamide
CID 105069465
2-(propan-2-ylamino)-N-thiophen-3-ylbenzamide
CID 66354382
N-(4-chloro-3-fluorophenyl)-2-(ethylamino)-3-fluorobenzamide
CID 62661409
N-(4-chloro-3-fluorophenyl)-1H-indole-4-carboxamide
CID 61274358
N-(4-chloro-3-fluorophenyl)acetamide
CID 60776248
N-(2-methylphenyl)-2-(propan-2-ylamino)benzamide
CID 63107622
N-(4-chloro-3-fluorophenyl)-2-fluoro-4-hydroxybenzamide
CID 103941277

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-fluorophenyl)-2-(propan-2-ylamino)benzamide?
The IUPAC name of N-(4-chloro-3-fluorophenyl)-2-(propan-2-ylamino)benzamide (CID 63107936) is N-(4-chloro-3-fluorophenyl)-2-(propan-2-ylamino)benzamide.
What is the SMILES notation for N-(4-chloro-3-fluorophenyl)-2-(propan-2-ylamino)benzamide?
The canonical SMILES for N-(4-chloro-3-fluorophenyl)-2-(propan-2-ylamino)benzamide is CC(C)Nc1ccccc1C(=O)Nc1ccc(Cl)c(F)c1.
What is the InChIKey of N-(4-chloro-3-fluorophenyl)-2-(propan-2-ylamino)benzamide?
The InChIKey is YBWUJNRPXRQXDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFN2O/c1-10(2)19-15-6-4-3-5-12(15)16(21)20-11-7-8-13(17)14(18)9-11/h3-10,19H,1-2H3,(H,20,21).
What are the key properties of N-(4-chloro-3-fluorophenyl)-2-(propan-2-ylamino)benzamide?
N-(4-chloro-3-fluorophenyl)-2-(propan-2-ylamino)benzamide has a molecular weight of 306.77 g/mol, XLogP of 4.55, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-fluorophenyl)-2-(propan-2-ylamino)benzamide is sourced from PubChem (CID 63107936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).