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

C16H16ClFN4O2 — CID 156854090

IUPACN-(2-aminoethyl)-4-chloro-2-[(3-fluorophenyl)carbamoylamino]benzamide
SMILESNCCNC(=O)c1ccc(Cl)cc1NC(=O)Nc1cccc(F)c1
InChIInChI=1S/C16H16ClFN4O2/c17-10-4-5-13(15(23)20-7-6-19)14(8-10)22-16(24)21-12-3-1-2-11(18)9-12/h1-5,8-9H,6-7,19H2,(H,20,23)(H2,21,22,24)
InChIKeyZQEJMRKOIHERQS-UHFFFAOYSA-N
MW350.78 g/mol
LogP2.81
Rot. Bonds5

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

N-(2-aminoethyl)-4-chloro-2-[(3-fluorophenyl)carbamoylamino]benzamide (PubChem CID 156854090) has the molecular formula C16H16ClFN4O2 and a molecular weight of 350.78 g/mol. Its IUPAC name is N-(2-aminoethyl)-4-chloro-2-[(3-fluorophenyl)carbamoylamino]benzamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-4-chloro-2-[(3-fluorophenyl)carbamoylamino]benzamide
PubChem CID156854090
Molecular FormulaC16H16ClFN4O2
Molecular Weight350.78 g/mol
Exact Mass350.09
IUPAC NameN-(2-aminoethyl)-4-chloro-2-[(3-fluorophenyl)carbamoylamino]benzamide
SMILESNCCNC(=O)c1ccc(Cl)cc1NC(=O)Nc1cccc(F)c1
InChIInChI=1S/C16H16ClFN4O2/c17-10-4-5-13(15(23)20-7-6-19)14(8-10)22-16(24)21-12-3-1-2-11(18)9-12/h1-5,8-9H,6-7,19H2,(H,20,23)(H2,21,22,24)
InChIKeyZQEJMRKOIHERQS-UHFFFAOYSA-N
XLogP2.81
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.78
LogP ≤ 52.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-[(3-fluorophenyl)carbamoylamino]-N-(2-hydroxyethyl)benzamide
CID 156854180
N-(2-aminoethyl)-4-chloro-2-[(3,5-difluorophenyl)carbamoylamino]benzamide
CID 156854312
1-(2-carbamothioyl-5-chlorophenyl)-3-(3-fluorophenyl)urea
CID 64918096
4-chloro-2-[(3-chloro-5-fluorophenyl)carbamoylamino]-N-(3-hydroxypropyl)benzamide
CID 166747486
N-(2-aminoethyl)-2-[(3,5-difluorophenyl)carbamoylamino]-4-methoxybenzamide
CID 156854286
4-fluoro-2-[(3-fluorophenyl)carbamoylamino]benzamide
CID 156854097
1-(3-chloro-4-fluorophenyl)-3-(3-fluorophenyl)urea
CID 108893983
N-(2-aminoethyl)-4-bromo-2-[(3,5-dibromophenyl)carbamoylamino]benzamide
CID 156854074
4-chloro-2-[(3-chloro-5-fluorophenyl)carbamoylamino]-N-methylbenzamide
CID 156854289
1-(3-chlorophenyl)-3-(2,4-difluorophenyl)urea
CID 898171
4-chloro-2-[(3,5-dibromophenyl)carbamoylamino]-N-propylbenzamide
CID 156854041
N-(2-aminoethyl)-3-fluorobenzamide;hydrochloride
CID 175851405

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-4-chloro-2-[(3-fluorophenyl)carbamoylamino]benzamide?
The IUPAC name of N-(2-aminoethyl)-4-chloro-2-[(3-fluorophenyl)carbamoylamino]benzamide (CID 156854090) is N-(2-aminoethyl)-4-chloro-2-[(3-fluorophenyl)carbamoylamino]benzamide.
What is the SMILES notation for N-(2-aminoethyl)-4-chloro-2-[(3-fluorophenyl)carbamoylamino]benzamide?
The canonical SMILES for N-(2-aminoethyl)-4-chloro-2-[(3-fluorophenyl)carbamoylamino]benzamide is NCCNC(=O)c1ccc(Cl)cc1NC(=O)Nc1cccc(F)c1.
What is the InChIKey of N-(2-aminoethyl)-4-chloro-2-[(3-fluorophenyl)carbamoylamino]benzamide?
The InChIKey is ZQEJMRKOIHERQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFN4O2/c17-10-4-5-13(15(23)20-7-6-19)14(8-10)22-16(24)21-12-3-1-2-11(18)9-12/h1-5,8-9H,6-7,19H2,(H,20,23)(H2,21,22,24).
What are the key properties of N-(2-aminoethyl)-4-chloro-2-[(3-fluorophenyl)carbamoylamino]benzamide?
N-(2-aminoethyl)-4-chloro-2-[(3-fluorophenyl)carbamoylamino]benzamide has a molecular weight of 350.78 g/mol, XLogP of 2.81, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-4-chloro-2-[(3-fluorophenyl)carbamoylamino]benzamide is sourced from PubChem (CID 156854090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).