3,4-dichloro-N-[2-[(2-chlorophenyl)carbamoylamino]ethyl]benzamide

C16H14Cl3N3O2 — CID 78871648

IUPAC3,4-dichloro-N-[2-[(2-chlorophenyl)carbamoylamino]ethyl]benzamide
SMILESO=C(NCCNC(=O)c1ccc(Cl)c(Cl)c1)Nc1ccccc1Cl
InChIInChI=1S/C16H14Cl3N3O2/c17-11-6-5-10(9-13(11)19)15(23)20-7-8-21-16(24)22-14-4-2-1-3-12(14)18/h1-6,9H,7-8H2,(H,20,23)(H2,21,22,24)
InChIKeyXACKMRVDEBQADO-UHFFFAOYSA-N
MW386.67 g/mol
LogP4.20
Rot. Bonds5

About 3,4-dichloro-N-[2-[(2-chlorophenyl)carbamoylamino]ethyl]benzamide

3,4-dichloro-N-[2-[(2-chlorophenyl)carbamoylamino]ethyl]benzamide (PubChem CID 78871648) has the molecular formula C16H14Cl3N3O2 and a molecular weight of 386.67 g/mol. Its IUPAC name is 3,4-dichloro-N-[2-[(2-chlorophenyl)carbamoylamino]ethyl]benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-[2-[(2-chlorophenyl)carbamoylamino]ethyl]benzamide
PubChem CID78871648
Molecular FormulaC16H14Cl3N3O2
Molecular Weight386.67 g/mol
Exact Mass385.02
IUPAC Name3,4-dichloro-N-[2-[(2-chlorophenyl)carbamoylamino]ethyl]benzamide
SMILESO=C(NCCNC(=O)c1ccc(Cl)c(Cl)c1)Nc1ccccc1Cl
InChIInChI=1S/C16H14Cl3N3O2/c17-11-6-5-10(9-13(11)19)15(23)20-7-8-21-16(24)22-14-4-2-1-3-12(14)18/h1-6,9H,7-8H2,(H,20,23)(H2,21,22,24)
InChIKeyXACKMRVDEBQADO-UHFFFAOYSA-N
XLogP4.20
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.67
LogP ≤ 54.20
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

N-[2-[(2-chlorophenyl)carbamoylamino]ethyl]acetamide
CID 47103341
N-[2-[(2,3-dichlorophenyl)carbamoylamino]ethyl]benzamide
CID 47032142
3,4-dichloro-N-[2-[(3-fluorobenzoyl)amino]ethyl]benzamide
CID 34819338
3,4-dichloro-N-[2-(2-methylphenyl)ethyl]benzamide
CID 27837884
3,4-dichloro-N-[2-(2-chlorophenoxy)ethyl]benzamide
CID 113099351
N-[2-(2-chloroanilino)-2-oxoethyl]-3,4-dimethylbenzamide
CID 9411325
4-[(2-chlorophenyl)carbamoylamino]butanoic acid
CID 28511695
3,4-dichloro-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]benzamide
CID 34496972
3,4-dichloro-N-[2-(3-chloropropanoylamino)ethyl]benzamide
CID 108570669
N-[2-[(3,4-dichlorobenzoyl)amino]ethyl]furan-2-carboxamide
CID 6490902
1-N-butyl-3-N-(2-chlorophenyl)benzene-1,3-dicarboxamide
CID 109051163
3,4-dichloro-N-[[2-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]benzamide
CID 108933986

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[2-[(2-chlorophenyl)carbamoylamino]ethyl]benzamide?
The IUPAC name of 3,4-dichloro-N-[2-[(2-chlorophenyl)carbamoylamino]ethyl]benzamide (CID 78871648) is 3,4-dichloro-N-[2-[(2-chlorophenyl)carbamoylamino]ethyl]benzamide.
What is the SMILES notation for 3,4-dichloro-N-[2-[(2-chlorophenyl)carbamoylamino]ethyl]benzamide?
The canonical SMILES for 3,4-dichloro-N-[2-[(2-chlorophenyl)carbamoylamino]ethyl]benzamide is O=C(NCCNC(=O)c1ccc(Cl)c(Cl)c1)Nc1ccccc1Cl.
What is the InChIKey of 3,4-dichloro-N-[2-[(2-chlorophenyl)carbamoylamino]ethyl]benzamide?
The InChIKey is XACKMRVDEBQADO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl3N3O2/c17-11-6-5-10(9-13(11)19)15(23)20-7-8-21-16(24)22-14-4-2-1-3-12(14)18/h1-6,9H,7-8H2,(H,20,23)(H2,21,22,24).
What are the key properties of 3,4-dichloro-N-[2-[(2-chlorophenyl)carbamoylamino]ethyl]benzamide?
3,4-dichloro-N-[2-[(2-chlorophenyl)carbamoylamino]ethyl]benzamide has a molecular weight of 386.67 g/mol, XLogP of 4.20, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[2-[(2-chlorophenyl)carbamoylamino]ethyl]benzamide is sourced from PubChem (CID 78871648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).