2-[[4-[(3-chlorophenyl)carbamoylamino]phenyl]methoxy]benzamide

C21H18ClN3O3 — CID 171062580

IUPAC2-[[4-[(3-chlorophenyl)carbamoylamino]phenyl]methoxy]benzamide
SMILESNC(=O)c1ccccc1OCc1ccc(NC(=O)Nc2cccc(Cl)c2)cc1
InChIInChI=1S/C21H18ClN3O3/c22-15-4-3-5-17(12-15)25-21(27)24-16-10-8-14(9-11-16)13-28-19-7-2-1-6-18(19)20(23)26/h1-12H,13H2,(H2,23,26)(H2,24,25,27)
InChIKeyLKPDGRPHJJDWBZ-UHFFFAOYSA-N
MW395.85 g/mol
LogP4.66
Rot. Bonds6

About 2-[[4-[(3-chlorophenyl)carbamoylamino]phenyl]methoxy]benzamide

2-[[4-[(3-chlorophenyl)carbamoylamino]phenyl]methoxy]benzamide (PubChem CID 171062580) has the molecular formula C21H18ClN3O3 and a molecular weight of 395.85 g/mol. Its IUPAC name is 2-[[4-[(3-chlorophenyl)carbamoylamino]phenyl]methoxy]benzamide.

Molecular Properties

Compound Name2-[[4-[(3-chlorophenyl)carbamoylamino]phenyl]methoxy]benzamide
PubChem CID171062580
Molecular FormulaC21H18ClN3O3
Molecular Weight395.85 g/mol
Exact Mass395.10
IUPAC Name2-[[4-[(3-chlorophenyl)carbamoylamino]phenyl]methoxy]benzamide
SMILESNC(=O)c1ccccc1OCc1ccc(NC(=O)Nc2cccc(Cl)c2)cc1
InChIInChI=1S/C21H18ClN3O3/c22-15-4-3-5-17(12-15)25-21(27)24-16-10-8-14(9-11-16)13-28-19-7-2-1-6-18(19)20(23)26/h1-12H,13H2,(H2,23,26)(H2,24,25,27)
InChIKeyLKPDGRPHJJDWBZ-UHFFFAOYSA-N
XLogP4.66
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.85
LogP ≤ 54.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-[(3-chlorophenyl)carbamoylamino]phenyl]methoxy]benzamide
CID 171062561
[(2S)-1-(3-chloroanilino)-1-oxopropan-2-yl] 2-phenylmethoxybenzoate
CID 7718120
1-(3-chlorophenyl)-3-[4-(2-hydroxyethyl)phenyl]urea
CID 61221273
2-[(4-phenylphenyl)methoxy]benzamide
CID 8011325
1-(3-chlorophenyl)-3-[2-(hydrazinecarbonyl)phenyl]urea
CID 156854116
2-[[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]benzamide
CID 59339177
1-[4-(3-chloroanilino)phenyl]-3-phenylurea
CID 112986987
1-(3-chlorophenyl)-3-(4-ethoxyphenyl)urea;1-(4-ethoxyphenyl)-3-phenylurea
CID 69341761
2-[(4-carbamothioylphenyl)methoxy]benzamide
CID 24702610
ethyl 2-[(3-chlorophenyl)carbamoylamino]benzoate
CID 707725
2-[(4-chlorophenyl)methoxy]benzoic acid
CID 2360737
N-[(3-carbamoylphenyl)methyl]-2-[(4-chlorophenyl)methoxy]benzamide
CID 32636544

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(3-chlorophenyl)carbamoylamino]phenyl]methoxy]benzamide?
The IUPAC name of 2-[[4-[(3-chlorophenyl)carbamoylamino]phenyl]methoxy]benzamide (CID 171062580) is 2-[[4-[(3-chlorophenyl)carbamoylamino]phenyl]methoxy]benzamide.
What is the SMILES notation for 2-[[4-[(3-chlorophenyl)carbamoylamino]phenyl]methoxy]benzamide?
The canonical SMILES for 2-[[4-[(3-chlorophenyl)carbamoylamino]phenyl]methoxy]benzamide is NC(=O)c1ccccc1OCc1ccc(NC(=O)Nc2cccc(Cl)c2)cc1.
What is the InChIKey of 2-[[4-[(3-chlorophenyl)carbamoylamino]phenyl]methoxy]benzamide?
The InChIKey is LKPDGRPHJJDWBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3O3/c22-15-4-3-5-17(12-15)25-21(27)24-16-10-8-14(9-11-16)13-28-19-7-2-1-6-18(19)20(23)26/h1-12H,13H2,(H2,23,26)(H2,24,25,27).
What are the key properties of 2-[[4-[(3-chlorophenyl)carbamoylamino]phenyl]methoxy]benzamide?
2-[[4-[(3-chlorophenyl)carbamoylamino]phenyl]methoxy]benzamide has a molecular weight of 395.85 g/mol, XLogP of 4.66, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(3-chlorophenyl)carbamoylamino]phenyl]methoxy]benzamide is sourced from PubChem (CID 171062580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).