N-(3-chloro-4-fluorophenyl)-2-[4-[(2-methoxyacetyl)amino]anilino]propanamide

C18H19ClFN3O3 — CID 55572161

IUPACN-(3-chloro-4-fluorophenyl)-2-[4-[(2-methoxyacetyl)amino]anilino]propanamide
SMILESCOCC(=O)Nc1ccc(NC(C)C(=O)Nc2ccc(F)c(Cl)c2)cc1
InChIInChI=1S/C18H19ClFN3O3/c1-11(18(25)23-14-7-8-16(20)15(19)9-14)21-12-3-5-13(6-4-12)22-17(24)10-26-2/h3-9,11,21H,10H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyXDEBCBBVXIYKLK-UHFFFAOYSA-N
MW379.82 g/mol
LogP3.50
Rot. Bonds7

About N-(3-chloro-4-fluorophenyl)-2-[4-[(2-methoxyacetyl)amino]anilino]propanamide

N-(3-chloro-4-fluorophenyl)-2-[4-[(2-methoxyacetyl)amino]anilino]propanamide (PubChem CID 55572161) has the molecular formula C18H19ClFN3O3 and a molecular weight of 379.82 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-[4-[(2-methoxyacetyl)amino]anilino]propanamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-[4-[(2-methoxyacetyl)amino]anilino]propanamide
PubChem CID55572161
Molecular FormulaC18H19ClFN3O3
Molecular Weight379.82 g/mol
Exact Mass379.11
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-[4-[(2-methoxyacetyl)amino]anilino]propanamide
SMILESCOCC(=O)Nc1ccc(NC(C)C(=O)Nc2ccc(F)c(Cl)c2)cc1
InChIInChI=1S/C18H19ClFN3O3/c1-11(18(25)23-14-7-8-16(20)15(19)9-14)21-12-3-5-13(6-4-12)22-17(24)10-26-2/h3-9,11,21H,10H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyXDEBCBBVXIYKLK-UHFFFAOYSA-N
XLogP3.50
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.82
LogP ≤ 53.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-fluorophenyl)-2-(3-chloro-4-methoxyanilino)propanamide
CID 55430557
N-(4-chloro-3-fluorophenyl)-2-methoxyacetamide
CID 60776246
(2S)-2-(3-chloro-4-fluoroanilino)-N-(9,10-dioxoanthracen-2-yl)propanamide
CID 26057005
2-(3-chloro-4-fluoroanilino)-N-(4-sulfamoylphenyl)propanamide
CID 42912001
N-tert-butyl-2-[4-[(2-methoxyacetyl)amino]anilino]propanamide
CID 42950126
(2R)-2-acetamido-N-(3-chloro-4-fluorophenyl)propanamide
CID 51648206
N-(3-chloro-4-fluorophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)propanamide
CID 51242256
N-(3-chloro-4-fluorophenyl)-3-methylbutanamide
CID 849199
2-(4-acetamidoanilino)-N-(3-chloro-4-methoxyphenyl)propanamide
CID 51242163
2-(3,4-difluoroanilino)-N-(3,4-difluorophenyl)propanamide
CID 51248549
N-(3-bromo-4-fluorophenyl)-2-methoxyacetamide
CID 115661537
2-[4-[(2-methoxyacetyl)amino]anilino]-N-(2-methylpropylcarbamoyl)propanamide
CID 55572485

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2-[4-[(2-methoxyacetyl)amino]anilino]propanamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-[4-[(2-methoxyacetyl)amino]anilino]propanamide (CID 55572161) is N-(3-chloro-4-fluorophenyl)-2-[4-[(2-methoxyacetyl)amino]anilino]propanamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-[4-[(2-methoxyacetyl)amino]anilino]propanamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-[4-[(2-methoxyacetyl)amino]anilino]propanamide is COCC(=O)Nc1ccc(NC(C)C(=O)Nc2ccc(F)c(Cl)c2)cc1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-[4-[(2-methoxyacetyl)amino]anilino]propanamide?
The InChIKey is XDEBCBBVXIYKLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClFN3O3/c1-11(18(25)23-14-7-8-16(20)15(19)9-14)21-12-3-5-13(6-4-12)22-17(24)10-26-2/h3-9,11,21H,10H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of N-(3-chloro-4-fluorophenyl)-2-[4-[(2-methoxyacetyl)amino]anilino]propanamide?
N-(3-chloro-4-fluorophenyl)-2-[4-[(2-methoxyacetyl)amino]anilino]propanamide has a molecular weight of 379.82 g/mol, XLogP of 3.50, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-2-[4-[(2-methoxyacetyl)amino]anilino]propanamide is sourced from PubChem (CID 55572161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).