2-chloro-N-[3-methyl-1-oxo-1-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]butan-2-yl]benzamide

C19H18ClN3O4 — CID 134019681

IUPAC2-chloro-N-[3-methyl-1-oxo-1-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]butan-2-yl]benzamide
SMILESCC(C)C(NC(=O)c1ccccc1Cl)C(=O)Nc1ccc2oc(=O)[nH]c2c1
InChIInChI=1S/C19H18ClN3O4/c1-10(2)16(23-17(24)12-5-3-4-6-13(12)20)18(25)21-11-7-8-15-14(9-11)22-19(26)27-15/h3-10,16H,1-2H3,(H,21,25)(H,22,26)(H,23,24)
InChIKeyQYTFTEBEIHWUHH-UHFFFAOYSA-N
MW387.82 g/mol
LogP3.17
Rot. Bonds5

About 2-chloro-N-[3-methyl-1-oxo-1-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]butan-2-yl]benzamide

2-chloro-N-[3-methyl-1-oxo-1-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]butan-2-yl]benzamide (PubChem CID 134019681) has the molecular formula C19H18ClN3O4 and a molecular weight of 387.82 g/mol. Its IUPAC name is 2-chloro-N-[3-methyl-1-oxo-1-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]butan-2-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[3-methyl-1-oxo-1-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]butan-2-yl]benzamide
PubChem CID134019681
Molecular FormulaC19H18ClN3O4
Molecular Weight387.82 g/mol
Exact Mass387.10
IUPAC Name2-chloro-N-[3-methyl-1-oxo-1-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]butan-2-yl]benzamide
SMILESCC(C)C(NC(=O)c1ccccc1Cl)C(=O)Nc1ccc2oc(=O)[nH]c2c1
InChIInChI=1S/C19H18ClN3O4/c1-10(2)16(23-17(24)12-5-3-4-6-13(12)20)18(25)21-11-7-8-15-14(9-11)22-19(26)27-15/h3-10,16H,1-2H3,(H,21,25)(H,22,26)(H,23,24)
InChIKeyQYTFTEBEIHWUHH-UHFFFAOYSA-N
XLogP3.17
TPSA104.20 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.82
LogP ≤ 53.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-[3-methyl-1-oxo-1-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]butan-2-yl]benzamide
CID 134019693
3-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-[(2-phenylacetyl)amino]butanamide
CID 134019800
2-chloro-N-[(2S)-1-(3,4-difluoroanilino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 9210229
2-amino-3-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)butanamide
CID 43710360
(2R)-2-amino-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide
CID 78972326
N-[1-(1,3-benzodioxol-5-ylamino)-3-methyl-1-oxobutan-2-yl]-2-chlorobenzamide
CID 51147231
N-[(2S)-1-(1,3-benzodioxol-5-ylamino)-3-methyl-1-oxobutan-2-yl]-2-chlorobenzamide
CID 9138264
2-chloro-N-[(2S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 9138191
2-chloro-N-[(2S)-3-methyl-1-(4-methylsulfanylanilino)-1-oxobutan-2-yl]benzamide
CID 9153625
(2S)-2-amino-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-phenylacetamide
CID 104897322
2-bromo-N-[(2S)-1-(3,4-dichloroanilino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 2547276
2-chloro-N-[(2S)-3-methyl-1-oxo-1-(3-sulfamoylanilino)butan-2-yl]benzamide
CID 9068604

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-methyl-1-oxo-1-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]butan-2-yl]benzamide?
The IUPAC name of 2-chloro-N-[3-methyl-1-oxo-1-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]butan-2-yl]benzamide (CID 134019681) is 2-chloro-N-[3-methyl-1-oxo-1-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]butan-2-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[3-methyl-1-oxo-1-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]butan-2-yl]benzamide?
The canonical SMILES for 2-chloro-N-[3-methyl-1-oxo-1-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]butan-2-yl]benzamide is CC(C)C(NC(=O)c1ccccc1Cl)C(=O)Nc1ccc2oc(=O)[nH]c2c1.
What is the InChIKey of 2-chloro-N-[3-methyl-1-oxo-1-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]butan-2-yl]benzamide?
The InChIKey is QYTFTEBEIHWUHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O4/c1-10(2)16(23-17(24)12-5-3-4-6-13(12)20)18(25)21-11-7-8-15-14(9-11)22-19(26)27-15/h3-10,16H,1-2H3,(H,21,25)(H,22,26)(H,23,24).
What are the key properties of 2-chloro-N-[3-methyl-1-oxo-1-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]butan-2-yl]benzamide?
2-chloro-N-[3-methyl-1-oxo-1-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]butan-2-yl]benzamide has a molecular weight of 387.82 g/mol, XLogP of 3.17, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-methyl-1-oxo-1-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]butan-2-yl]benzamide is sourced from PubChem (CID 134019681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).