4-(carbamoylamino)-N-[(2,3-dichlorophenyl)methyl]-N-methylbenzamide

C16H15Cl2N3O2 — CID 38047200

IUPAC4-(carbamoylamino)-N-[(2,3-dichlorophenyl)methyl]-N-methylbenzamide
SMILESCN(Cc1cccc(Cl)c1Cl)C(=O)c1ccc(NC(N)=O)cc1
InChIInChI=1S/C16H15Cl2N3O2/c1-21(9-11-3-2-4-13(17)14(11)18)15(22)10-5-7-12(8-6-10)20-16(19)23/h2-8H,9H2,1H3,(H3,19,20,23)
InChIKeyQVWCQNAVTIOLKN-UHFFFAOYSA-N
MW352.22 g/mol
LogP3.76
Rot. Bonds4

About 4-(carbamoylamino)-N-[(2,3-dichlorophenyl)methyl]-N-methylbenzamide

4-(carbamoylamino)-N-[(2,3-dichlorophenyl)methyl]-N-methylbenzamide (PubChem CID 38047200) has the molecular formula C16H15Cl2N3O2 and a molecular weight of 352.22 g/mol. Its IUPAC name is 4-(carbamoylamino)-N-[(2,3-dichlorophenyl)methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-(carbamoylamino)-N-[(2,3-dichlorophenyl)methyl]-N-methylbenzamide
PubChem CID38047200
Molecular FormulaC16H15Cl2N3O2
Molecular Weight352.22 g/mol
Exact Mass351.05
IUPAC Name4-(carbamoylamino)-N-[(2,3-dichlorophenyl)methyl]-N-methylbenzamide
SMILESCN(Cc1cccc(Cl)c1Cl)C(=O)c1ccc(NC(N)=O)cc1
InChIInChI=1S/C16H15Cl2N3O2/c1-21(9-11-3-2-4-13(17)14(11)18)15(22)10-5-7-12(8-6-10)20-16(19)23/h2-8H,9H2,1H3,(H3,19,20,23)
InChIKeyQVWCQNAVTIOLKN-UHFFFAOYSA-N
XLogP3.76
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.22
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(aminomethyl)-N-[(2,3-dichlorophenyl)methyl]-N-methylbenzamide
CID 60937647
N-[(2,3-dichlorophenyl)methyl]-N-methylbenzamide
CID 60628158
N-[(2-chlorophenyl)methyl]-4-hydrazinyl-N-methylbenzamide
CID 62242071
4-(carbamoylamino)-N-[(3,4-dichlorophenyl)methyl]-N-methylbenzamide
CID 26069791
3-amino-N-[(2,3-dichlorophenyl)methyl]-N,4-dimethylbenzamide
CID 60938036
N-[(2,3-dichlorophenyl)methyl]-N-methyl-4-(tetrazol-1-yl)benzamide
CID 29415782
methyl N-[4-[[(2,3-dichlorophenyl)methyl-methylcarbamoyl]amino]phenyl]carbamate
CID 55819799
N-[(2,3-dichlorophenyl)methyl]-5-iodo-N-methylthiophene-3-carboxamide
CID 79692774
N-[(2,3-dichlorophenyl)methyl]-4-[methoxy(methyl)sulfamoyl]-N-methylbenzamide
CID 27773732
N-[(2,3-dichlorophenyl)methyl]-3-(methanesulfonamido)-N-methylbenzamide
CID 31144744
(2,3-dichlorophenyl)methyl-methylcarbamic acid
CID 23189896
3-acetamido-N-[(2-chlorophenyl)methyl]-N-methylbenzamide
CID 7677286

Frequently Asked Questions

What is the IUPAC name of 4-(carbamoylamino)-N-[(2,3-dichlorophenyl)methyl]-N-methylbenzamide?
The IUPAC name of 4-(carbamoylamino)-N-[(2,3-dichlorophenyl)methyl]-N-methylbenzamide (CID 38047200) is 4-(carbamoylamino)-N-[(2,3-dichlorophenyl)methyl]-N-methylbenzamide.
What is the SMILES notation for 4-(carbamoylamino)-N-[(2,3-dichlorophenyl)methyl]-N-methylbenzamide?
The canonical SMILES for 4-(carbamoylamino)-N-[(2,3-dichlorophenyl)methyl]-N-methylbenzamide is CN(Cc1cccc(Cl)c1Cl)C(=O)c1ccc(NC(N)=O)cc1.
What is the InChIKey of 4-(carbamoylamino)-N-[(2,3-dichlorophenyl)methyl]-N-methylbenzamide?
The InChIKey is QVWCQNAVTIOLKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2N3O2/c1-21(9-11-3-2-4-13(17)14(11)18)15(22)10-5-7-12(8-6-10)20-16(19)23/h2-8H,9H2,1H3,(H3,19,20,23).
What are the key properties of 4-(carbamoylamino)-N-[(2,3-dichlorophenyl)methyl]-N-methylbenzamide?
4-(carbamoylamino)-N-[(2,3-dichlorophenyl)methyl]-N-methylbenzamide has a molecular weight of 352.22 g/mol, XLogP of 3.76, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(carbamoylamino)-N-[(2,3-dichlorophenyl)methyl]-N-methylbenzamide is sourced from PubChem (CID 38047200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).