2-chloro-N-methyl-5-[[methyl-[3-[(2R)-oxolan-2-yl]propyl]carbamoyl]amino]benzamide

C17H24ClN3O3 — CID 125170840

IUPAC2-chloro-N-methyl-5-[[methyl-[3-[(2R)-oxolan-2-yl]propyl]carbamoyl]amino]benzamide
SMILESCNC(=O)c1cc(NC(=O)N(C)CCC[C@@H]2CCCO2)ccc1Cl
InChIInChI=1S/C17H24ClN3O3/c1-19-16(22)14-11-12(7-8-15(14)18)20-17(23)21(2)9-3-5-13-6-4-10-24-13/h7-8,11,13H,3-6,9-10H2,1-2H3,(H,19,22)(H,20,23)/t13-/m1/s1
InChIKeyQODZVIZKFUPJHY-CYBMUJFWSA-N
MW353.85 g/mol
LogP3.12
Rot. Bonds6

About 2-chloro-N-methyl-5-[[methyl-[3-[(2R)-oxolan-2-yl]propyl]carbamoyl]amino]benzamide

2-chloro-N-methyl-5-[[methyl-[3-[(2R)-oxolan-2-yl]propyl]carbamoyl]amino]benzamide (PubChem CID 125170840) has the molecular formula C17H24ClN3O3 and a molecular weight of 353.85 g/mol. Its IUPAC name is 2-chloro-N-methyl-5-[[methyl-[3-[(2R)-oxolan-2-yl]propyl]carbamoyl]amino]benzamide.

Molecular Properties

Compound Name2-chloro-N-methyl-5-[[methyl-[3-[(2R)-oxolan-2-yl]propyl]carbamoyl]amino]benzamide
PubChem CID125170840
Molecular FormulaC17H24ClN3O3
Molecular Weight353.85 g/mol
Exact Mass353.15
IUPAC Name2-chloro-N-methyl-5-[[methyl-[3-[(2R)-oxolan-2-yl]propyl]carbamoyl]amino]benzamide
SMILESCNC(=O)c1cc(NC(=O)N(C)CCC[C@@H]2CCCO2)ccc1Cl
InChIInChI=1S/C17H24ClN3O3/c1-19-16(22)14-11-12(7-8-15(14)18)20-17(23)21(2)9-3-5-13-6-4-10-24-13/h7-8,11,13H,3-6,9-10H2,1-2H3,(H,19,22)(H,20,23)/t13-/m1/s1
InChIKeyQODZVIZKFUPJHY-CYBMUJFWSA-N
XLogP3.12
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.85
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-chloro-4-methylphenyl)-1-methyl-1-[3-(oxolan-2-yl)propyl]urea
CID 118767228
3-(1,3-benzodioxol-5-yl)-1-methyl-1-[3-[(2R)-oxolan-2-yl]propyl]urea
CID 125167071
3-(3-benzylphenyl)-1-methyl-1-[3-[(2R)-oxolan-2-yl]propyl]urea
CID 125154893
3-(2-chloro-5-sulfamoylphenyl)-1-methyl-1-[3-[(2R)-oxolan-2-yl]propyl]urea
CID 125161769
3-[4-(3-fluorophenyl)phenyl]-1-methyl-1-[3-(oxolan-2-yl)propyl]urea
CID 118761000
1-methyl-1-[3-[(2S)-oxolan-2-yl]propyl]-3-(2-phenyl-1,3-benzoxazol-5-yl)urea
CID 97436331
3-[3-(2-ethyltetrazol-5-yl)phenyl]-1-methyl-1-[3-(oxolan-2-yl)propyl]urea
CID 72922904
3-(2-chloro-5-methylphenyl)-1-methyl-1-[2-[(2R)-oxan-2-yl]ethyl]urea
CID 97279208
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methyl-2-(oxolan-2-ylmethylamino)acetamide
CID 119682918
5-[[butyl(methyl)carbamoyl]amino]-2-chlorobenzoic acid
CID 61186407
2-chloro-5-[[3-hydroxypropyl(methyl)carbamoyl]amino]benzoic acid
CID 114230397
3-[4-(difluoromethoxy)phenyl]-1-methyl-1-[2-[(2S)-oxan-2-yl]ethyl]urea
CID 125165120

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-5-[[methyl-[3-[(2R)-oxolan-2-yl]propyl]carbamoyl]amino]benzamide?
The IUPAC name of 2-chloro-N-methyl-5-[[methyl-[3-[(2R)-oxolan-2-yl]propyl]carbamoyl]amino]benzamide (CID 125170840) is 2-chloro-N-methyl-5-[[methyl-[3-[(2R)-oxolan-2-yl]propyl]carbamoyl]amino]benzamide.
What is the SMILES notation for 2-chloro-N-methyl-5-[[methyl-[3-[(2R)-oxolan-2-yl]propyl]carbamoyl]amino]benzamide?
The canonical SMILES for 2-chloro-N-methyl-5-[[methyl-[3-[(2R)-oxolan-2-yl]propyl]carbamoyl]amino]benzamide is CNC(=O)c1cc(NC(=O)N(C)CCC[C@@H]2CCCO2)ccc1Cl.
What is the InChIKey of 2-chloro-N-methyl-5-[[methyl-[3-[(2R)-oxolan-2-yl]propyl]carbamoyl]amino]benzamide?
The InChIKey is QODZVIZKFUPJHY-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H24ClN3O3/c1-19-16(22)14-11-12(7-8-15(14)18)20-17(23)21(2)9-3-5-13-6-4-10-24-13/h7-8,11,13H,3-6,9-10H2,1-2H3,(H,19,22)(H,20,23)/t13-/m1/s1.
What are the key properties of 2-chloro-N-methyl-5-[[methyl-[3-[(2R)-oxolan-2-yl]propyl]carbamoyl]amino]benzamide?
2-chloro-N-methyl-5-[[methyl-[3-[(2R)-oxolan-2-yl]propyl]carbamoyl]amino]benzamide has a molecular weight of 353.85 g/mol, XLogP of 3.12, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-5-[[methyl-[3-[(2R)-oxolan-2-yl]propyl]carbamoyl]amino]benzamide is sourced from PubChem (CID 125170840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).