4-[(3-chlorophenyl)carbamoylamino]-N-(oxolan-2-ylmethyl)benzamide

C19H20ClN3O3 — CID 17205676

IUPAC4-[(3-chlorophenyl)carbamoylamino]-N-(oxolan-2-ylmethyl)benzamide
SMILESO=C(Nc1ccc(C(=O)NCC2CCCO2)cc1)Nc1cccc(Cl)c1
InChIInChI=1S/C19H20ClN3O3/c20-14-3-1-4-16(11-14)23-19(25)22-15-8-6-13(7-9-15)18(24)21-12-17-5-2-10-26-17/h1,3-4,6-9,11,17H,2,5,10,12H2,(H,21,24)(H2,22,23,25)
InChIKeyIYYHWNXJTLISDX-UHFFFAOYSA-N
MW373.84 g/mol
LogP3.89
Rot. Bonds5

About 4-[(3-chlorophenyl)carbamoylamino]-N-(oxolan-2-ylmethyl)benzamide

4-[(3-chlorophenyl)carbamoylamino]-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 17205676) has the molecular formula C19H20ClN3O3 and a molecular weight of 373.84 g/mol. Its IUPAC name is 4-[(3-chlorophenyl)carbamoylamino]-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-[(3-chlorophenyl)carbamoylamino]-N-(oxolan-2-ylmethyl)benzamide
PubChem CID17205676
Molecular FormulaC19H20ClN3O3
Molecular Weight373.84 g/mol
Exact Mass373.12
IUPAC Name4-[(3-chlorophenyl)carbamoylamino]-N-(oxolan-2-ylmethyl)benzamide
SMILESO=C(Nc1ccc(C(=O)NCC2CCCO2)cc1)Nc1cccc(Cl)c1
InChIInChI=1S/C19H20ClN3O3/c20-14-3-1-4-16(11-14)23-19(25)22-15-8-6-13(7-9-15)18(24)21-12-17-5-2-10-26-17/h1,3-4,6-9,11,17H,2,5,10,12H2,(H,21,24)(H2,22,23,25)
InChIKeyIYYHWNXJTLISDX-UHFFFAOYSA-N
XLogP3.89
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.84
LogP ≤ 53.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[(2R)-oxolan-2-yl]methyl]-4-(phenylcarbamoylamino)benzamide
CID 42427521
6-N-(3-chlorophenyl)-2-N-(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 109096215
2,4-dichloro-N-[4-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]benzamide
CID 40740660
4-N-(3-chlorophenyl)-2-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109083336
2-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 18567713
3-[(3-chlorophenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide
CID 43002756
2,4-dichloro-N-[3-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 17202248
4-[[2-(4-chlorophenyl)acetyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 42427432
4-(cyclohexylcarbamoylamino)-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 42579542
1-(3-chlorophenyl)-3-[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]urea
CID 41445181
3-methyl-N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 17205629
1-(3-chlorophenyl)-3-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea
CID 41445173

Frequently Asked Questions

What is the IUPAC name of 4-[(3-chlorophenyl)carbamoylamino]-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of 4-[(3-chlorophenyl)carbamoylamino]-N-(oxolan-2-ylmethyl)benzamide (CID 17205676) is 4-[(3-chlorophenyl)carbamoylamino]-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for 4-[(3-chlorophenyl)carbamoylamino]-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for 4-[(3-chlorophenyl)carbamoylamino]-N-(oxolan-2-ylmethyl)benzamide is O=C(Nc1ccc(C(=O)NCC2CCCO2)cc1)Nc1cccc(Cl)c1.
What is the InChIKey of 4-[(3-chlorophenyl)carbamoylamino]-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is IYYHWNXJTLISDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O3/c20-14-3-1-4-16(11-14)23-19(25)22-15-8-6-13(7-9-15)18(24)21-12-17-5-2-10-26-17/h1,3-4,6-9,11,17H,2,5,10,12H2,(H,21,24)(H2,22,23,25).
What are the key properties of 4-[(3-chlorophenyl)carbamoylamino]-N-(oxolan-2-ylmethyl)benzamide?
4-[(3-chlorophenyl)carbamoylamino]-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 373.84 g/mol, XLogP of 3.89, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chlorophenyl)carbamoylamino]-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 17205676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).