4-[[1-(3-chlorophenyl)ethylcarbamoylamino]methyl]-N-methylbenzamide

C18H20ClN3O2 — CID 134006337

IUPAC4-[[1-(3-chlorophenyl)ethylcarbamoylamino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(CNC(=O)NC(C)c2cccc(Cl)c2)cc1
InChIInChI=1S/C18H20ClN3O2/c1-12(15-4-3-5-16(19)10-15)22-18(24)21-11-13-6-8-14(9-7-13)17(23)20-2/h3-10,12H,11H2,1-2H3,(H,20,23)(H2,21,22,24)
InChIKeyJHZFLODACOHKRM-UHFFFAOYSA-N
MW345.83 g/mol
LogP3.26
Rot. Bonds5

About 4-[[1-(3-chlorophenyl)ethylcarbamoylamino]methyl]-N-methylbenzamide

4-[[1-(3-chlorophenyl)ethylcarbamoylamino]methyl]-N-methylbenzamide (PubChem CID 134006337) has the molecular formula C18H20ClN3O2 and a molecular weight of 345.83 g/mol. Its IUPAC name is 4-[[1-(3-chlorophenyl)ethylcarbamoylamino]methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[[1-(3-chlorophenyl)ethylcarbamoylamino]methyl]-N-methylbenzamide
PubChem CID134006337
Molecular FormulaC18H20ClN3O2
Molecular Weight345.83 g/mol
Exact Mass345.12
IUPAC Name4-[[1-(3-chlorophenyl)ethylcarbamoylamino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(CNC(=O)NC(C)c2cccc(Cl)c2)cc1
InChIInChI=1S/C18H20ClN3O2/c1-12(15-4-3-5-16(19)10-15)22-18(24)21-11-13-6-8-14(9-7-13)17(23)20-2/h3-10,12H,11H2,1-2H3,(H,20,23)(H2,21,22,24)
InChIKeyJHZFLODACOHKRM-UHFFFAOYSA-N
XLogP3.26
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 53.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-3-[(1S)-1-(3-chlorophenyl)ethyl]urea
CID 27533669
1-[1-(3-chlorophenyl)ethyl]-3-methylurea
CID 47127326
N-methyl-4-[[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylcarbamoylamino]methyl]benzamide
CID 42891543
N-methyl-4-[(propan-2-ylcarbamoylamino)methyl]benzamide
CID 47116390
1-[(1S)-1-(3-chlorophenyl)ethyl]-3-[(1-methylpyrrol-3-yl)methyl]urea
CID 96569165
1-[(4-chlorophenyl)methyl]-3-(1-phenylethyl)urea
CID 108899206
1-[1-(3-chlorophenyl)ethyl]-3-[(4-ethoxy-3-methoxyphenyl)methyl]urea
CID 55683902
1-[1-(3-chlorophenyl)ethyl]-3-(2,2-dimethylpropyl)urea
CID 112839734
1-[1-(3-chlorophenyl)ethyl]-3-(2,2,2-trifluoroethyl)urea
CID 47134201
4-[[[(1R)-1-(3-chlorophenyl)ethyl]amino]methyl]benzoic acid
CID 81366062
1-[1-(3-chlorophenyl)ethyl]-3-[(1-hydroxycyclobutyl)methyl]urea
CID 111437923
N-[(1S)-1-(3-chlorophenyl)ethyl]-4-fluorobenzamide
CID 7944591

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(3-chlorophenyl)ethylcarbamoylamino]methyl]-N-methylbenzamide?
The IUPAC name of 4-[[1-(3-chlorophenyl)ethylcarbamoylamino]methyl]-N-methylbenzamide (CID 134006337) is 4-[[1-(3-chlorophenyl)ethylcarbamoylamino]methyl]-N-methylbenzamide.
What is the SMILES notation for 4-[[1-(3-chlorophenyl)ethylcarbamoylamino]methyl]-N-methylbenzamide?
The canonical SMILES for 4-[[1-(3-chlorophenyl)ethylcarbamoylamino]methyl]-N-methylbenzamide is CNC(=O)c1ccc(CNC(=O)NC(C)c2cccc(Cl)c2)cc1.
What is the InChIKey of 4-[[1-(3-chlorophenyl)ethylcarbamoylamino]methyl]-N-methylbenzamide?
The InChIKey is JHZFLODACOHKRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O2/c1-12(15-4-3-5-16(19)10-15)22-18(24)21-11-13-6-8-14(9-7-13)17(23)20-2/h3-10,12H,11H2,1-2H3,(H,20,23)(H2,21,22,24).
What are the key properties of 4-[[1-(3-chlorophenyl)ethylcarbamoylamino]methyl]-N-methylbenzamide?
4-[[1-(3-chlorophenyl)ethylcarbamoylamino]methyl]-N-methylbenzamide has a molecular weight of 345.83 g/mol, XLogP of 3.26, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(3-chlorophenyl)ethylcarbamoylamino]methyl]-N-methylbenzamide is sourced from PubChem (CID 134006337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).