3-[(4-bromophenyl)carbamoylamino]-N-[(4-methoxyphenyl)-phenylmethyl]propanamide

C24H24BrN3O3 — CID 55773754

IUPAC3-[(4-bromophenyl)carbamoylamino]-N-[(4-methoxyphenyl)-phenylmethyl]propanamide
SMILESCOc1ccc(C(NC(=O)CCNC(=O)Nc2ccc(Br)cc2)c2ccccc2)cc1
InChIInChI=1S/C24H24BrN3O3/c1-31-21-13-7-18(8-14-21)23(17-5-3-2-4-6-17)28-22(29)15-16-26-24(30)27-20-11-9-19(25)10-12-20/h2-14,23H,15-16H2,1H3,(H,28,29)(H2,26,27,30)
InChIKeyCQHNINNYQBKQGS-UHFFFAOYSA-N
MW482.38 g/mol
LogP4.88
Rot. Bonds8

About 3-[(4-bromophenyl)carbamoylamino]-N-[(4-methoxyphenyl)-phenylmethyl]propanamide

3-[(4-bromophenyl)carbamoylamino]-N-[(4-methoxyphenyl)-phenylmethyl]propanamide (PubChem CID 55773754) has the molecular formula C24H24BrN3O3 and a molecular weight of 482.38 g/mol. Its IUPAC name is 3-[(4-bromophenyl)carbamoylamino]-N-[(4-methoxyphenyl)-phenylmethyl]propanamide.

Molecular Properties

Compound Name3-[(4-bromophenyl)carbamoylamino]-N-[(4-methoxyphenyl)-phenylmethyl]propanamide
PubChem CID55773754
Molecular FormulaC24H24BrN3O3
Molecular Weight482.38 g/mol
Exact Mass481.10
IUPAC Name3-[(4-bromophenyl)carbamoylamino]-N-[(4-methoxyphenyl)-phenylmethyl]propanamide
SMILESCOc1ccc(C(NC(=O)CCNC(=O)Nc2ccc(Br)cc2)c2ccccc2)cc1
InChIInChI=1S/C24H24BrN3O3/c1-31-21-13-7-18(8-14-21)23(17-5-3-2-4-6-17)28-22(29)15-16-26-24(30)27-20-11-9-19(25)10-12-20/h2-14,23H,15-16H2,1H3,(H,28,29)(H2,26,27,30)
InChIKeyCQHNINNYQBKQGS-UHFFFAOYSA-N
XLogP4.88
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.38
LogP ≤ 54.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-[3-[[(S)-(4-methoxyphenyl)-phenylmethyl]amino]-3-oxopropyl]benzamide
CID 40790967
N-[(4-methoxyphenyl)-phenylmethyl]-2-[4-(propylcarbamoylamino)phenyl]acetamide
CID 86878568
1-benzhydryl-3-(4-methoxyphenyl)urea
CID 11602403
3-[(4-methoxyphenyl)carbamoylamino]-N-[1-(4-propan-2-ylphenyl)ethyl]propanamide
CID 46571064
N-[(4-bromo-2-fluorophenyl)-phenylmethyl]-3-(phenylcarbamoylamino)propanamide
CID 55990369
N-[(S)-(4-methoxyphenyl)-phenylmethyl]-3-phenylpropanamide
CID 891641
2-(4-acetamidophenyl)sulfanyl-N-[(S)-(4-methoxyphenyl)-phenylmethyl]acetamide
CID 8565521
3-[(4-bromophenyl)carbamoylamino]-N-(4-propan-2-yloxyphenyl)propanamide
CID 55796869
methyl 3-[(4-bromophenyl)carbamoylamino]propanoate
CID 47361141
1-(5-hydroxy-3-phenylpentyl)-3-(4-methoxyphenyl)urea
CID 121112426
2-anilino-N-[bis(4-methoxyphenyl)methyl]acetamide
CID 18197509
N-benzhydryl-3-(4-methoxyphenyl)sulfanylpropanamide
CID 41486489

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromophenyl)carbamoylamino]-N-[(4-methoxyphenyl)-phenylmethyl]propanamide?
The IUPAC name of 3-[(4-bromophenyl)carbamoylamino]-N-[(4-methoxyphenyl)-phenylmethyl]propanamide (CID 55773754) is 3-[(4-bromophenyl)carbamoylamino]-N-[(4-methoxyphenyl)-phenylmethyl]propanamide.
What is the SMILES notation for 3-[(4-bromophenyl)carbamoylamino]-N-[(4-methoxyphenyl)-phenylmethyl]propanamide?
The canonical SMILES for 3-[(4-bromophenyl)carbamoylamino]-N-[(4-methoxyphenyl)-phenylmethyl]propanamide is COc1ccc(C(NC(=O)CCNC(=O)Nc2ccc(Br)cc2)c2ccccc2)cc1.
What is the InChIKey of 3-[(4-bromophenyl)carbamoylamino]-N-[(4-methoxyphenyl)-phenylmethyl]propanamide?
The InChIKey is CQHNINNYQBKQGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24BrN3O3/c1-31-21-13-7-18(8-14-21)23(17-5-3-2-4-6-17)28-22(29)15-16-26-24(30)27-20-11-9-19(25)10-12-20/h2-14,23H,15-16H2,1H3,(H,28,29)(H2,26,27,30).
What are the key properties of 3-[(4-bromophenyl)carbamoylamino]-N-[(4-methoxyphenyl)-phenylmethyl]propanamide?
3-[(4-bromophenyl)carbamoylamino]-N-[(4-methoxyphenyl)-phenylmethyl]propanamide has a molecular weight of 482.38 g/mol, XLogP of 4.88, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromophenyl)carbamoylamino]-N-[(4-methoxyphenyl)-phenylmethyl]propanamide is sourced from PubChem (CID 55773754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).