2-chloro-N-[1-[3-[(2-methoxyacetyl)amino]anilino]-1-oxopropan-2-yl]benzamide

C19H20ClN3O4 — CID 46579661

IUPAC2-chloro-N-[1-[3-[(2-methoxyacetyl)amino]anilino]-1-oxopropan-2-yl]benzamide
SMILESCOCC(=O)Nc1cccc(NC(=O)C(C)NC(=O)c2ccccc2Cl)c1
InChIInChI=1S/C19H20ClN3O4/c1-12(21-19(26)15-8-3-4-9-16(15)20)18(25)23-14-7-5-6-13(10-14)22-17(24)11-27-2/h3-10,12H,11H2,1-2H3,(H,21,26)(H,22,24)(H,23,25)
InChIKeyHRDKFNAEFNCWCA-UHFFFAOYSA-N
MW389.84 g/mol
LogP2.68
Rot. Bonds7

About 2-chloro-N-[1-[3-[(2-methoxyacetyl)amino]anilino]-1-oxopropan-2-yl]benzamide

2-chloro-N-[1-[3-[(2-methoxyacetyl)amino]anilino]-1-oxopropan-2-yl]benzamide (PubChem CID 46579661) has the molecular formula C19H20ClN3O4 and a molecular weight of 389.84 g/mol. Its IUPAC name is 2-chloro-N-[1-[3-[(2-methoxyacetyl)amino]anilino]-1-oxopropan-2-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[1-[3-[(2-methoxyacetyl)amino]anilino]-1-oxopropan-2-yl]benzamide
PubChem CID46579661
Molecular FormulaC19H20ClN3O4
Molecular Weight389.84 g/mol
Exact Mass389.11
IUPAC Name2-chloro-N-[1-[3-[(2-methoxyacetyl)amino]anilino]-1-oxopropan-2-yl]benzamide
SMILESCOCC(=O)Nc1cccc(NC(=O)C(C)NC(=O)c2ccccc2Cl)c1
InChIInChI=1S/C19H20ClN3O4/c1-12(21-19(26)15-8-3-4-9-16(15)20)18(25)23-14-7-5-6-13(10-14)22-17(24)11-27-2/h3-10,12H,11H2,1-2H3,(H,21,26)(H,22,24)(H,23,25)
InChIKeyHRDKFNAEFNCWCA-UHFFFAOYSA-N
XLogP2.68
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.84
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-1-(3-bromoanilino)-1-oxopropan-2-yl]-2-chlorobenzamide
CID 9038644
2,3-dichloro-N-[1-[3-(2-methylpropanoylamino)anilino]-1-oxopropan-2-yl]benzamide
CID 55852819
2-chloro-N-[1-(3,4-dipropoxyanilino)-1-oxopropan-2-yl]benzamide
CID 43007187
2-chloro-4-fluoro-N-[3-[(2-methoxyacetyl)amino]phenyl]benzamide
CID 46569659
[2-(4-methoxyanilino)-2-oxoethyl] (2S)-2-[(2-chlorobenzoyl)amino]propanoate
CID 55925743
2-methoxy-N-[3-[(2-methoxyacetyl)amino]phenyl]benzamide
CID 38397232
2-chloro-N-[1-oxo-1-(4-propylanilino)propan-2-yl]benzamide
CID 42907437
[1-(3-acetylanilino)-1-oxopropan-2-yl] 2-[(2-chlorobenzoyl)amino]propanoate
CID 55307038
2-chloro-N-[(2S)-1-[4-(4-methylphenoxy)anilino]-1-oxopropan-2-yl]benzamide
CID 7613421
2-chloro-N-[(2R)-1-[4-chloro-3-(diethylsulfamoyl)anilino]-1-oxopropan-2-yl]benzamide
CID 41153673
[2-(2-chloroanilino)-2-oxoethyl] (2S)-2-[(2-chlorobenzoyl)amino]propanoate
CID 7570560
2-chloro-N-[[3-(propanoylamino)phenyl]carbamothioyl]benzamide
CID 1227605

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-[3-[(2-methoxyacetyl)amino]anilino]-1-oxopropan-2-yl]benzamide?
The IUPAC name of 2-chloro-N-[1-[3-[(2-methoxyacetyl)amino]anilino]-1-oxopropan-2-yl]benzamide (CID 46579661) is 2-chloro-N-[1-[3-[(2-methoxyacetyl)amino]anilino]-1-oxopropan-2-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[1-[3-[(2-methoxyacetyl)amino]anilino]-1-oxopropan-2-yl]benzamide?
The canonical SMILES for 2-chloro-N-[1-[3-[(2-methoxyacetyl)amino]anilino]-1-oxopropan-2-yl]benzamide is COCC(=O)Nc1cccc(NC(=O)C(C)NC(=O)c2ccccc2Cl)c1.
What is the InChIKey of 2-chloro-N-[1-[3-[(2-methoxyacetyl)amino]anilino]-1-oxopropan-2-yl]benzamide?
The InChIKey is HRDKFNAEFNCWCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O4/c1-12(21-19(26)15-8-3-4-9-16(15)20)18(25)23-14-7-5-6-13(10-14)22-17(24)11-27-2/h3-10,12H,11H2,1-2H3,(H,21,26)(H,22,24)(H,23,25).
What are the key properties of 2-chloro-N-[1-[3-[(2-methoxyacetyl)amino]anilino]-1-oxopropan-2-yl]benzamide?
2-chloro-N-[1-[3-[(2-methoxyacetyl)amino]anilino]-1-oxopropan-2-yl]benzamide has a molecular weight of 389.84 g/mol, XLogP of 2.68, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-[3-[(2-methoxyacetyl)amino]anilino]-1-oxopropan-2-yl]benzamide is sourced from PubChem (CID 46579661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).