N-[2-[[(2,3-dichlorophenyl)methyl-methylcarbamoyl]amino]ethyl]benzamide

C18H19Cl2N3O2 — CID 55589948

IUPACN-[2-[[(2,3-dichlorophenyl)methyl-methylcarbamoyl]amino]ethyl]benzamide
SMILESCN(Cc1cccc(Cl)c1Cl)C(=O)NCCNC(=O)c1ccccc1
InChIInChI=1S/C18H19Cl2N3O2/c1-23(12-14-8-5-9-15(19)16(14)20)18(25)22-11-10-21-17(24)13-6-3-2-4-7-13/h2-9H,10-12H2,1H3,(H,21,24)(H,22,25)
InChIKeyFRWCUOYUHWSPCU-UHFFFAOYSA-N
MW380.28 g/mol
LogP3.56
Rot. Bonds6

About N-[2-[[(2,3-dichlorophenyl)methyl-methylcarbamoyl]amino]ethyl]benzamide

N-[2-[[(2,3-dichlorophenyl)methyl-methylcarbamoyl]amino]ethyl]benzamide (PubChem CID 55589948) has the molecular formula C18H19Cl2N3O2 and a molecular weight of 380.28 g/mol. Its IUPAC name is N-[2-[[(2,3-dichlorophenyl)methyl-methylcarbamoyl]amino]ethyl]benzamide.

Molecular Properties

Compound NameN-[2-[[(2,3-dichlorophenyl)methyl-methylcarbamoyl]amino]ethyl]benzamide
PubChem CID55589948
Molecular FormulaC18H19Cl2N3O2
Molecular Weight380.28 g/mol
Exact Mass379.09
IUPAC NameN-[2-[[(2,3-dichlorophenyl)methyl-methylcarbamoyl]amino]ethyl]benzamide
SMILESCN(Cc1cccc(Cl)c1Cl)C(=O)NCCNC(=O)c1ccccc1
InChIInChI=1S/C18H19Cl2N3O2/c1-23(12-14-8-5-9-15(19)16(14)20)18(25)22-11-10-21-17(24)13-6-3-2-4-7-13/h2-9H,10-12H2,1H3,(H,21,24)(H,22,25)
InChIKeyFRWCUOYUHWSPCU-UHFFFAOYSA-N
XLogP3.56
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.28
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(2,3-dichlorophenyl)methyl]-N-methylbenzamide
CID 60628158
3-[[(2-chlorophenyl)methyl-methylcarbamoyl]amino]propanoic acid
CID 61414586
(2,3-dichlorophenyl)methyl-methylcarbamic acid
CID 23189896
1-[(2-chlorophenyl)methyl]-1-methyl-3-(2-phenylethyl)urea
CID 27533879
N-[2-[(2,3-dichlorophenyl)carbamoylamino]ethyl]benzamide
CID 47032142
3-[3-(1H-benzimidazol-2-yl)propyl]-1-[(2,3-dichlorophenyl)methyl]-1-methylurea
CID 24612809
N-[2-[2-[(dimethylamino)methyl]phenyl]ethyl]benzamide
CID 19811110
N-[2-[2-[(dimethylamino)methyl]phenyl]ethyl]benzamide;hydrochloride
CID 173361765
4-(aminomethyl)-N-[(2,3-dichlorophenyl)methyl]-N-methylbenzamide
CID 60937647
N-[(2,3-dichlorophenyl)methyl]-2-iodo-N-methylbenzamide
CID 60628160
methyl N-[4-[[(2,3-dichlorophenyl)methyl-methylcarbamoyl]amino]phenyl]carbamate
CID 55819799
N-[2-(N-acetyl-2,3-dichloroanilino)ethyl]benzamide
CID 113063841

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(2,3-dichlorophenyl)methyl-methylcarbamoyl]amino]ethyl]benzamide?
The IUPAC name of N-[2-[[(2,3-dichlorophenyl)methyl-methylcarbamoyl]amino]ethyl]benzamide (CID 55589948) is N-[2-[[(2,3-dichlorophenyl)methyl-methylcarbamoyl]amino]ethyl]benzamide.
What is the SMILES notation for N-[2-[[(2,3-dichlorophenyl)methyl-methylcarbamoyl]amino]ethyl]benzamide?
The canonical SMILES for N-[2-[[(2,3-dichlorophenyl)methyl-methylcarbamoyl]amino]ethyl]benzamide is CN(Cc1cccc(Cl)c1Cl)C(=O)NCCNC(=O)c1ccccc1.
What is the InChIKey of N-[2-[[(2,3-dichlorophenyl)methyl-methylcarbamoyl]amino]ethyl]benzamide?
The InChIKey is FRWCUOYUHWSPCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2N3O2/c1-23(12-14-8-5-9-15(19)16(14)20)18(25)22-11-10-21-17(24)13-6-3-2-4-7-13/h2-9H,10-12H2,1H3,(H,21,24)(H,22,25).
What are the key properties of N-[2-[[(2,3-dichlorophenyl)methyl-methylcarbamoyl]amino]ethyl]benzamide?
N-[2-[[(2,3-dichlorophenyl)methyl-methylcarbamoyl]amino]ethyl]benzamide has a molecular weight of 380.28 g/mol, XLogP of 3.56, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(2,3-dichlorophenyl)methyl-methylcarbamoyl]amino]ethyl]benzamide is sourced from PubChem (CID 55589948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).