N-[2-[(2,3-dichlorophenyl)carbamoylamino]ethyl]benzamide

C16H15Cl2N3O2 — CID 47032142

IUPACN-[2-[(2,3-dichlorophenyl)carbamoylamino]ethyl]benzamide
SMILESO=C(NCCNC(=O)c1ccccc1)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C16H15Cl2N3O2/c17-12-7-4-8-13(14(12)18)21-16(23)20-10-9-19-15(22)11-5-2-1-3-6-11/h1-8H,9-10H2,(H,19,22)(H2,20,21,23)
InChIKeyDDKUFCDGIDGLMP-UHFFFAOYSA-N
MW352.22 g/mol
LogP3.54
Rot. Bonds5

About N-[2-[(2,3-dichlorophenyl)carbamoylamino]ethyl]benzamide

N-[2-[(2,3-dichlorophenyl)carbamoylamino]ethyl]benzamide (PubChem CID 47032142) has the molecular formula C16H15Cl2N3O2 and a molecular weight of 352.22 g/mol. Its IUPAC name is N-[2-[(2,3-dichlorophenyl)carbamoylamino]ethyl]benzamide.

Molecular Properties

Compound NameN-[2-[(2,3-dichlorophenyl)carbamoylamino]ethyl]benzamide
PubChem CID47032142
Molecular FormulaC16H15Cl2N3O2
Molecular Weight352.22 g/mol
Exact Mass351.05
IUPAC NameN-[2-[(2,3-dichlorophenyl)carbamoylamino]ethyl]benzamide
SMILESO=C(NCCNC(=O)c1ccccc1)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C16H15Cl2N3O2/c17-12-7-4-8-13(14(12)18)21-16(23)20-10-9-19-15(22)11-5-2-1-3-6-11/h1-8H,9-10H2,(H,19,22)(H2,20,21,23)
InChIKeyDDKUFCDGIDGLMP-UHFFFAOYSA-N
XLogP3.54
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.22
LogP ≤ 53.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2,3-dichlorophenyl)-3-propylurea
CID 4654956
2-[(2,3-dichlorophenyl)carbamoylamino]acetic acid
CID 28508177
3,4-dichloro-N-[2-[(2-chlorophenyl)carbamoylamino]ethyl]benzamide
CID 78871648
1-(2,3-dichlorophenyl)-3-[2-(dimethylamino)ethyl]urea
CID 978037
1-(2-chlorophenyl)-3-(2,3-dichlorophenyl)urea
CID 5174981
1-(2,3-dichlorophenyl)-3-(phenoxymethyl)urea
CID 108888756
N-[2-[(2-chlorophenyl)carbamoylamino]ethyl]acetamide
CID 47103341
1-(2,3-dichlorophenyl)-3-prop-2-ynylurea
CID 97180602
1-[benzoyl(tert-butyl)amino]-3-(2,3-dichlorophenyl)urea
CID 134112185
N-[2-[(3-chloro-2-methylphenyl)carbamoylamino]ethyl]-4-methoxybenzamide
CID 55816767
N-(2,3-dichlorophenyl)-4-phenylbenzamide
CID 3094078
3-benzamido-N-(2,3-dichlorophenyl)-4-methylbenzamide
CID 17226451

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2,3-dichlorophenyl)carbamoylamino]ethyl]benzamide?
The IUPAC name of N-[2-[(2,3-dichlorophenyl)carbamoylamino]ethyl]benzamide (CID 47032142) is N-[2-[(2,3-dichlorophenyl)carbamoylamino]ethyl]benzamide.
What is the SMILES notation for N-[2-[(2,3-dichlorophenyl)carbamoylamino]ethyl]benzamide?
The canonical SMILES for N-[2-[(2,3-dichlorophenyl)carbamoylamino]ethyl]benzamide is O=C(NCCNC(=O)c1ccccc1)Nc1cccc(Cl)c1Cl.
What is the InChIKey of N-[2-[(2,3-dichlorophenyl)carbamoylamino]ethyl]benzamide?
The InChIKey is DDKUFCDGIDGLMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2N3O2/c17-12-7-4-8-13(14(12)18)21-16(23)20-10-9-19-15(22)11-5-2-1-3-6-11/h1-8H,9-10H2,(H,19,22)(H2,20,21,23).
What are the key properties of N-[2-[(2,3-dichlorophenyl)carbamoylamino]ethyl]benzamide?
N-[2-[(2,3-dichlorophenyl)carbamoylamino]ethyl]benzamide has a molecular weight of 352.22 g/mol, XLogP of 3.54, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2,3-dichlorophenyl)carbamoylamino]ethyl]benzamide is sourced from PubChem (CID 47032142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).