N-(4-acetamidophenyl)-3-(3-chloro-4-fluoroanilino)propanamide

C17H17ClFN3O2 — CID 109038816

IUPACN-(4-acetamidophenyl)-3-(3-chloro-4-fluoroanilino)propanamide
SMILESCC(=O)Nc1ccc(NC(=O)CCNc2ccc(F)c(Cl)c2)cc1
InChIInChI=1S/C17H17ClFN3O2/c1-11(23)21-12-2-4-13(5-3-12)22-17(24)8-9-20-14-6-7-16(19)15(18)10-14/h2-7,10,20H,8-9H2,1H3,(H,21,23)(H,22,24)
InChIKeyCRKSPCOEEYDNNR-UHFFFAOYSA-N
MW349.79 g/mol
LogP3.88
Rot. Bonds6

About N-(4-acetamidophenyl)-3-(3-chloro-4-fluoroanilino)propanamide

N-(4-acetamidophenyl)-3-(3-chloro-4-fluoroanilino)propanamide (PubChem CID 109038816) has the molecular formula C17H17ClFN3O2 and a molecular weight of 349.79 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-3-(3-chloro-4-fluoroanilino)propanamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-3-(3-chloro-4-fluoroanilino)propanamide
PubChem CID109038816
Molecular FormulaC17H17ClFN3O2
Molecular Weight349.79 g/mol
Exact Mass349.10
IUPAC NameN-(4-acetamidophenyl)-3-(3-chloro-4-fluoroanilino)propanamide
SMILESCC(=O)Nc1ccc(NC(=O)CCNc2ccc(F)c(Cl)c2)cc1
InChIInChI=1S/C17H17ClFN3O2/c1-11(23)21-12-2-4-13(5-3-12)22-17(24)8-9-20-14-6-7-16(19)15(18)10-14/h2-7,10,20H,8-9H2,1H3,(H,21,23)(H,22,24)
InChIKeyCRKSPCOEEYDNNR-UHFFFAOYSA-N
XLogP3.88
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.79
LogP ≤ 53.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetamidophenyl)-3-(3,4-difluoroanilino)propanamide
CID 109041238
3-(3-chloro-4-fluoroanilino)-N-[4-(dimethylamino)phenyl]propanamide
CID 109038822
3-(3-acetamidoanilino)-N-(4-chlorophenyl)propanamide
CID 109038130
N-(3,4-dichlorophenyl)-3-(3,4-difluoroanilino)propanamide
CID 109042632
3-(3-chloro-4-fluoroanilino)-N-(2,6-difluorophenyl)propanamide
CID 109038862
N-(3-chloro-4-fluorophenyl)-3-(5-chloro-2-methylanilino)propanamide
CID 109038437
3-(4-acetamidoanilino)-N-(2,5-dichlorophenyl)propanamide
CID 109041273
N-(3-chloro-4-fluorophenyl)-3-(2,6-dimethylanilino)propanamide
CID 109035868
3-(3-acetamidoanilino)-N-(3,4-difluorophenyl)propanamide
CID 109041188
3-(3-chloro-4-fluoroanilino)-N-(5-chloro-2-methoxyphenyl)propanamide
CID 109038796
N-(3-chloro-4-fluorophenyl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]propanamide
CID 109038794
N-(3-chloro-4-fluorophenyl)-3-(4-phenoxyanilino)propanamide
CID 109038759

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-3-(3-chloro-4-fluoroanilino)propanamide?
The IUPAC name of N-(4-acetamidophenyl)-3-(3-chloro-4-fluoroanilino)propanamide (CID 109038816) is N-(4-acetamidophenyl)-3-(3-chloro-4-fluoroanilino)propanamide.
What is the SMILES notation for N-(4-acetamidophenyl)-3-(3-chloro-4-fluoroanilino)propanamide?
The canonical SMILES for N-(4-acetamidophenyl)-3-(3-chloro-4-fluoroanilino)propanamide is CC(=O)Nc1ccc(NC(=O)CCNc2ccc(F)c(Cl)c2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-3-(3-chloro-4-fluoroanilino)propanamide?
The InChIKey is CRKSPCOEEYDNNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFN3O2/c1-11(23)21-12-2-4-13(5-3-12)22-17(24)8-9-20-14-6-7-16(19)15(18)10-14/h2-7,10,20H,8-9H2,1H3,(H,21,23)(H,22,24).
What are the key properties of N-(4-acetamidophenyl)-3-(3-chloro-4-fluoroanilino)propanamide?
N-(4-acetamidophenyl)-3-(3-chloro-4-fluoroanilino)propanamide has a molecular weight of 349.79 g/mol, XLogP of 3.88, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-3-(3-chloro-4-fluoroanilino)propanamide is sourced from PubChem (CID 109038816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).