N-[2-[(2-bromophenyl)carbamoylamino]ethyl]-N-(3-methylphenyl)acetamide

C18H20BrN3O2 — CID 24768235

IUPACN-[2-[(2-bromophenyl)carbamoylamino]ethyl]-N-(3-methylphenyl)acetamide
SMILESCC(=O)N(CCNC(=O)Nc1ccccc1Br)c1cccc(C)c1
InChIInChI=1S/C18H20BrN3O2/c1-13-6-5-7-15(12-13)22(14(2)23)11-10-20-18(24)21-17-9-4-3-8-16(17)19/h3-9,12H,10-11H2,1-2H3,(H2,20,21,24)
InChIKeyGZGOHMHWVLIDJS-UHFFFAOYSA-N
MW390.28 g/mol
LogP3.93
Rot. Bonds5

About N-[2-[(2-bromophenyl)carbamoylamino]ethyl]-N-(3-methylphenyl)acetamide

N-[2-[(2-bromophenyl)carbamoylamino]ethyl]-N-(3-methylphenyl)acetamide (PubChem CID 24768235) has the molecular formula C18H20BrN3O2 and a molecular weight of 390.28 g/mol. Its IUPAC name is N-[2-[(2-bromophenyl)carbamoylamino]ethyl]-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[2-[(2-bromophenyl)carbamoylamino]ethyl]-N-(3-methylphenyl)acetamide
PubChem CID24768235
Molecular FormulaC18H20BrN3O2
Molecular Weight390.28 g/mol
Exact Mass389.07
IUPAC NameN-[2-[(2-bromophenyl)carbamoylamino]ethyl]-N-(3-methylphenyl)acetamide
SMILESCC(=O)N(CCNC(=O)Nc1ccccc1Br)c1cccc(C)c1
InChIInChI=1S/C18H20BrN3O2/c1-13-6-5-7-15(12-13)22(14(2)23)11-10-20-18(24)21-17-9-4-3-8-16(17)19/h3-9,12H,10-11H2,1-2H3,(H2,20,21,24)
InChIKeyGZGOHMHWVLIDJS-UHFFFAOYSA-N
XLogP3.93
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.28
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-Bromophenyl)-3-{2-[ethyl(3-methylphenyl)amino]ethyl}urea
CID 9842609
1-(3-Bromophenyl)-3-{2-[ethyl(3-methylphenyl)amino]ethyl}urea
CID 3498030
1-(4-Bromophenyl)-3-{2-[ethyl(3-methylphenyl)amino]ethyl}urea
CID 3713930
3-{2-[Ethyl(3-methylphenyl)amino]ethyl}-1-(2-methylphenyl)urea
CID 4996665
1-(2-bromophenyl)-3-[(3R)-1-(3-methylphenyl)pyrrolidin-3-yl]urea
CID 10199387
1-(2-bromophenyl)-3-[(3R)-1-(3-fluoro-4-methylphenyl)pyrrolidin-3-yl]urea
CID 10222094
3-{2-[Ethyl(3-methylphenyl)amino]ethyl}-1-phenylurea
CID 24768227
3-{2-[Ethyl(3-methylphenyl)amino]ethyl}-1-(2-fluorophenyl)urea
CID 24768228
1-(2-Bromophenyl)-3-{2-[ethyl(phenyl)amino]ethyl}urea
CID 24768236
1-(2-Bromophenyl)-3-{2-[ethyl(2-methylphenyl)amino]ethyl}urea
CID 24768237
1-(2-Bromophenyl)-3-{2-[ethyl(4-methylphenyl)amino]ethyl}urea
CID 24768238
1-(2-Bromophenyl)-3-{2-[ethyl(3-fluorophenyl)amino]ethyl}urea
CID 24768239

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-bromophenyl)carbamoylamino]ethyl]-N-(3-methylphenyl)acetamide?
The IUPAC name of N-[2-[(2-bromophenyl)carbamoylamino]ethyl]-N-(3-methylphenyl)acetamide (CID 24768235) is N-[2-[(2-bromophenyl)carbamoylamino]ethyl]-N-(3-methylphenyl)acetamide.
What is the SMILES notation for N-[2-[(2-bromophenyl)carbamoylamino]ethyl]-N-(3-methylphenyl)acetamide?
The canonical SMILES for N-[2-[(2-bromophenyl)carbamoylamino]ethyl]-N-(3-methylphenyl)acetamide is CC(=O)N(CCNC(=O)Nc1ccccc1Br)c1cccc(C)c1.
What is the InChIKey of N-[2-[(2-bromophenyl)carbamoylamino]ethyl]-N-(3-methylphenyl)acetamide?
The InChIKey is GZGOHMHWVLIDJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrN3O2/c1-13-6-5-7-15(12-13)22(14(2)23)11-10-20-18(24)21-17-9-4-3-8-16(17)19/h3-9,12H,10-11H2,1-2H3,(H2,20,21,24).
What are the key properties of N-[2-[(2-bromophenyl)carbamoylamino]ethyl]-N-(3-methylphenyl)acetamide?
N-[2-[(2-bromophenyl)carbamoylamino]ethyl]-N-(3-methylphenyl)acetamide has a molecular weight of 390.28 g/mol, XLogP of 3.93, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-bromophenyl)carbamoylamino]ethyl]-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 24768235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).