4-chloro-2-[(3-fluorophenyl)carbamoylamino]-N-(2-hydroxyethyl)benzamide

C16H15ClFN3O3 — CID 156854180

IUPAC4-chloro-2-[(3-fluorophenyl)carbamoylamino]-N-(2-hydroxyethyl)benzamide
SMILESO=C(Nc1cccc(F)c1)Nc1cc(Cl)ccc1C(=O)NCCO
InChIInChI=1S/C16H15ClFN3O3/c17-10-4-5-13(15(23)19-6-7-22)14(8-10)21-16(24)20-12-3-1-2-11(18)9-12/h1-5,8-9,22H,6-7H2,(H,19,23)(H2,20,21,24)
InChIKeyCJYDLSBYPHQZDR-UHFFFAOYSA-N
MW351.77 g/mol
LogP2.85
Rot. Bonds5

About 4-chloro-2-[(3-fluorophenyl)carbamoylamino]-N-(2-hydroxyethyl)benzamide

4-chloro-2-[(3-fluorophenyl)carbamoylamino]-N-(2-hydroxyethyl)benzamide (PubChem CID 156854180) has the molecular formula C16H15ClFN3O3 and a molecular weight of 351.77 g/mol. Its IUPAC name is 4-chloro-2-[(3-fluorophenyl)carbamoylamino]-N-(2-hydroxyethyl)benzamide.

Molecular Properties

Compound Name4-chloro-2-[(3-fluorophenyl)carbamoylamino]-N-(2-hydroxyethyl)benzamide
PubChem CID156854180
Molecular FormulaC16H15ClFN3O3
Molecular Weight351.77 g/mol
Exact Mass351.08
IUPAC Name4-chloro-2-[(3-fluorophenyl)carbamoylamino]-N-(2-hydroxyethyl)benzamide
SMILESO=C(Nc1cccc(F)c1)Nc1cc(Cl)ccc1C(=O)NCCO
InChIInChI=1S/C16H15ClFN3O3/c17-10-4-5-13(15(23)19-6-7-22)14(8-10)21-16(24)20-12-3-1-2-11(18)9-12/h1-5,8-9,22H,6-7H2,(H,19,23)(H2,20,21,24)
InChIKeyCJYDLSBYPHQZDR-UHFFFAOYSA-N
XLogP2.85
TPSA90.46 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.77
LogP ≤ 52.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminoethyl)-4-chloro-2-[(3-fluorophenyl)carbamoylamino]benzamide
CID 156854090
4-chloro-2-[(3-chloro-5-fluorophenyl)carbamoylamino]-N-(3-hydroxypropyl)benzamide
CID 166747486
N-(2-aminoethyl)-4-chloro-2-[(3,5-difluorophenyl)carbamoylamino]benzamide
CID 156854312
1-(2-carbamothioyl-5-chlorophenyl)-3-(3-fluorophenyl)urea
CID 64918096
2-[(3-bromo-5-chlorophenyl)carbamoylamino]-4-fluoro-N-(3-hydroxypropyl)benzamide
CID 156854108
4-chloro-2-[(3-chloro-5-fluorophenyl)carbamoylamino]-N-methylbenzamide
CID 156854289
1-(3-chloro-4-fluorophenyl)-3-(3-fluorophenyl)urea
CID 108893983
4-fluoro-2-[(3-fluorophenyl)carbamoylamino]benzamide
CID 156854097
1-(3-chlorophenyl)-3-(2,4-difluorophenyl)urea
CID 898171
4-chloro-2-[(3,5-dibromophenyl)carbamoylamino]-N-propylbenzamide
CID 156854041
4-bromo-2-[(3,5-dichlorophenyl)carbamoylamino]-N-(3-hydroxypropyl)benzamide
CID 166747514
4-bromo-2-[(3,5-dibromophenyl)carbamoylamino]-N-(2-hydroxyethyl)benzamide
CID 156854234

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(3-fluorophenyl)carbamoylamino]-N-(2-hydroxyethyl)benzamide?
The IUPAC name of 4-chloro-2-[(3-fluorophenyl)carbamoylamino]-N-(2-hydroxyethyl)benzamide (CID 156854180) is 4-chloro-2-[(3-fluorophenyl)carbamoylamino]-N-(2-hydroxyethyl)benzamide.
What is the SMILES notation for 4-chloro-2-[(3-fluorophenyl)carbamoylamino]-N-(2-hydroxyethyl)benzamide?
The canonical SMILES for 4-chloro-2-[(3-fluorophenyl)carbamoylamino]-N-(2-hydroxyethyl)benzamide is O=C(Nc1cccc(F)c1)Nc1cc(Cl)ccc1C(=O)NCCO.
What is the InChIKey of 4-chloro-2-[(3-fluorophenyl)carbamoylamino]-N-(2-hydroxyethyl)benzamide?
The InChIKey is CJYDLSBYPHQZDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFN3O3/c17-10-4-5-13(15(23)19-6-7-22)14(8-10)21-16(24)20-12-3-1-2-11(18)9-12/h1-5,8-9,22H,6-7H2,(H,19,23)(H2,20,21,24).
What are the key properties of 4-chloro-2-[(3-fluorophenyl)carbamoylamino]-N-(2-hydroxyethyl)benzamide?
4-chloro-2-[(3-fluorophenyl)carbamoylamino]-N-(2-hydroxyethyl)benzamide has a molecular weight of 351.77 g/mol, XLogP of 2.85, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(3-fluorophenyl)carbamoylamino]-N-(2-hydroxyethyl)benzamide is sourced from PubChem (CID 156854180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).