3-[(4-bromophenyl)carbamoylamino]-N-(3,4-dimethylphenyl)propanamide

C18H20BrN3O2 — CID 55765106

IUPAC3-[(4-bromophenyl)carbamoylamino]-N-(3,4-dimethylphenyl)propanamide
SMILESCc1ccc(NC(=O)CCNC(=O)Nc2ccc(Br)cc2)cc1C
InChIInChI=1S/C18H20BrN3O2/c1-12-3-6-16(11-13(12)2)21-17(23)9-10-20-18(24)22-15-7-4-14(19)5-8-15/h3-8,11H,9-10H2,1-2H3,(H,21,23)(H2,20,22,24)
InChIKeyOXEPCDGHBACDAV-UHFFFAOYSA-N
MW390.28 g/mol
LogP4.22
Rot. Bonds5

About 3-[(4-bromophenyl)carbamoylamino]-N-(3,4-dimethylphenyl)propanamide

3-[(4-bromophenyl)carbamoylamino]-N-(3,4-dimethylphenyl)propanamide (PubChem CID 55765106) has the molecular formula C18H20BrN3O2 and a molecular weight of 390.28 g/mol. Its IUPAC name is 3-[(4-bromophenyl)carbamoylamino]-N-(3,4-dimethylphenyl)propanamide.

Molecular Properties

Compound Name3-[(4-bromophenyl)carbamoylamino]-N-(3,4-dimethylphenyl)propanamide
PubChem CID55765106
Molecular FormulaC18H20BrN3O2
Molecular Weight390.28 g/mol
Exact Mass389.07
IUPAC Name3-[(4-bromophenyl)carbamoylamino]-N-(3,4-dimethylphenyl)propanamide
SMILESCc1ccc(NC(=O)CCNC(=O)Nc2ccc(Br)cc2)cc1C
InChIInChI=1S/C18H20BrN3O2/c1-12-3-6-16(11-13(12)2)21-17(23)9-10-20-18(24)22-15-7-4-14(19)5-8-15/h3-8,11H,9-10H2,1-2H3,(H,21,23)(H2,20,22,24)
InChIKeyOXEPCDGHBACDAV-UHFFFAOYSA-N
XLogP4.22
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.28
LogP ≤ 54.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-bromoanilino)-N-(3,4-dimethylphenyl)propanamide
CID 109035446
1-[2-(4-bromophenyl)ethyl]-3-(3,4-dimethylphenyl)urea
CID 108894116
2-(4-bromophenyl)-N-(3,4-dimethylphenyl)acetamide
CID 2268328
3-[(4-bromophenyl)carbamoylamino]-N-(4-propan-2-yloxyphenyl)propanamide
CID 55796869
N-(3,4-dimethylphenyl)-4-oxo-4-[2-(phenylcarbamoyl)hydrazinyl]butanamide
CID 2377822
methyl 3-[(4-bromophenyl)carbamoylamino]propanoate
CID 47361141
3-[(4-bromophenyl)carbamoylamino]-N-(3-nitrophenyl)propanamide
CID 55773716
1-(2-chloroethyl)-3-(3,4-dimethylphenyl)urea
CID 10105129
3-[(4-bromophenyl)carbamoylamino]-N-[1-(2,5-dimethylphenyl)ethyl]propanamide
CID 55773882
3-[(4-bromophenyl)carbamoylamino]-N-[2-(ethylamino)ethyl]propanamide
CID 119508627
(Z)-N-(4-bromophenyl)-N'-(3,4-dimethylphenyl)but-2-enediamide
CID 71511657
2-[(3,4-dimethylphenyl)carbamoylamino]-N-(4-methoxyphenyl)acetamide
CID 42766024

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromophenyl)carbamoylamino]-N-(3,4-dimethylphenyl)propanamide?
The IUPAC name of 3-[(4-bromophenyl)carbamoylamino]-N-(3,4-dimethylphenyl)propanamide (CID 55765106) is 3-[(4-bromophenyl)carbamoylamino]-N-(3,4-dimethylphenyl)propanamide.
What is the SMILES notation for 3-[(4-bromophenyl)carbamoylamino]-N-(3,4-dimethylphenyl)propanamide?
The canonical SMILES for 3-[(4-bromophenyl)carbamoylamino]-N-(3,4-dimethylphenyl)propanamide is Cc1ccc(NC(=O)CCNC(=O)Nc2ccc(Br)cc2)cc1C.
What is the InChIKey of 3-[(4-bromophenyl)carbamoylamino]-N-(3,4-dimethylphenyl)propanamide?
The InChIKey is OXEPCDGHBACDAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrN3O2/c1-12-3-6-16(11-13(12)2)21-17(23)9-10-20-18(24)22-15-7-4-14(19)5-8-15/h3-8,11H,9-10H2,1-2H3,(H,21,23)(H2,20,22,24).
What are the key properties of 3-[(4-bromophenyl)carbamoylamino]-N-(3,4-dimethylphenyl)propanamide?
3-[(4-bromophenyl)carbamoylamino]-N-(3,4-dimethylphenyl)propanamide has a molecular weight of 390.28 g/mol, XLogP of 4.22, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromophenyl)carbamoylamino]-N-(3,4-dimethylphenyl)propanamide is sourced from PubChem (CID 55765106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).