N-(4-bromo-2-methylphenyl)-2-[(1-phenylcyclobutyl)methylcarbamoylamino]acetamide

C21H24BrN3O2 — CID 52550986

IUPACN-(4-bromo-2-methylphenyl)-2-[(1-phenylcyclobutyl)methylcarbamoylamino]acetamide
SMILESCc1cc(Br)ccc1NC(=O)CNC(=O)NCC1(c2ccccc2)CCC1
InChIInChI=1S/C21H24BrN3O2/c1-15-12-17(22)8-9-18(15)25-19(26)13-23-20(27)24-14-21(10-5-11-21)16-6-3-2-4-7-16/h2-4,6-9,12H,5,10-11,13-14H2,1H3,(H,25,26)(H2,23,24,27)
InChIKeyZMECFWZUDKQKME-UHFFFAOYSA-N
MW430.35 g/mol
LogP4.12
Rot. Bonds6

About N-(4-bromo-2-methylphenyl)-2-[(1-phenylcyclobutyl)methylcarbamoylamino]acetamide

N-(4-bromo-2-methylphenyl)-2-[(1-phenylcyclobutyl)methylcarbamoylamino]acetamide (PubChem CID 52550986) has the molecular formula C21H24BrN3O2 and a molecular weight of 430.35 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)-2-[(1-phenylcyclobutyl)methylcarbamoylamino]acetamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)-2-[(1-phenylcyclobutyl)methylcarbamoylamino]acetamide
PubChem CID52550986
Molecular FormulaC21H24BrN3O2
Molecular Weight430.35 g/mol
Exact Mass429.11
IUPAC NameN-(4-bromo-2-methylphenyl)-2-[(1-phenylcyclobutyl)methylcarbamoylamino]acetamide
SMILESCc1cc(Br)ccc1NC(=O)CNC(=O)NCC1(c2ccccc2)CCC1
InChIInChI=1S/C21H24BrN3O2/c1-15-12-17(22)8-9-18(15)25-19(26)13-23-20(27)24-14-21(10-5-11-21)16-6-3-2-4-7-16/h2-4,6-9,12H,5,10-11,13-14H2,1H3,(H,25,26)(H2,23,24,27)
InChIKeyZMECFWZUDKQKME-UHFFFAOYSA-N
XLogP4.12
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.35
LogP ≤ 54.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-2-methylphenyl)-3-[[1-(4-fluorophenyl)cyclopropyl]methyl]urea
CID 113214403
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-1-(3-fluorophenyl)cyclobutane-1-carboxamide
CID 32983634
1-(4-bromo-2-methylphenyl)-3-[(1-hydroxycyclobutyl)methyl]urea
CID 111437547
N-(4-bromo-2-methylphenyl)-2-[[2-(tert-butylamino)-2-oxoethyl]carbamoylamino]acetamide
CID 55485275
N-(4-bromo-2-methylphenyl)-2-[[(S)-cyclopropyl(phenyl)methyl]carbamoylamino]acetamide
CID 41285988
2-(methylcarbamoylamino)-N-[(1-phenylcycloheptyl)methyl]acetamide
CID 136518370
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide
CID 112761225
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]cyclopropanecarboxamide
CID 27781440
N-(4-bromo-2-methylphenyl)-2-(1-pyridin-2-ylethylcarbamoylamino)acetamide
CID 42954179
2-[[2-(azocan-1-ium-1-yl)acetyl]amino]-N-(4-bromo-2-methylphenyl)acetamide
CID 8583622
1-(3-methylphenyl)-3-[(1-phenylcyclohexyl)methyl]urea
CID 14977495
1-(2,4-dimethoxyphenyl)-3-[(1-phenylcyclobutyl)methyl]urea
CID 113214996

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)-2-[(1-phenylcyclobutyl)methylcarbamoylamino]acetamide?
The IUPAC name of N-(4-bromo-2-methylphenyl)-2-[(1-phenylcyclobutyl)methylcarbamoylamino]acetamide (CID 52550986) is N-(4-bromo-2-methylphenyl)-2-[(1-phenylcyclobutyl)methylcarbamoylamino]acetamide.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)-2-[(1-phenylcyclobutyl)methylcarbamoylamino]acetamide?
The canonical SMILES for N-(4-bromo-2-methylphenyl)-2-[(1-phenylcyclobutyl)methylcarbamoylamino]acetamide is Cc1cc(Br)ccc1NC(=O)CNC(=O)NCC1(c2ccccc2)CCC1.
What is the InChIKey of N-(4-bromo-2-methylphenyl)-2-[(1-phenylcyclobutyl)methylcarbamoylamino]acetamide?
The InChIKey is ZMECFWZUDKQKME-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24BrN3O2/c1-15-12-17(22)8-9-18(15)25-19(26)13-23-20(27)24-14-21(10-5-11-21)16-6-3-2-4-7-16/h2-4,6-9,12H,5,10-11,13-14H2,1H3,(H,25,26)(H2,23,24,27).
What are the key properties of N-(4-bromo-2-methylphenyl)-2-[(1-phenylcyclobutyl)methylcarbamoylamino]acetamide?
N-(4-bromo-2-methylphenyl)-2-[(1-phenylcyclobutyl)methylcarbamoylamino]acetamide has a molecular weight of 430.35 g/mol, XLogP of 4.12, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methylphenyl)-2-[(1-phenylcyclobutyl)methylcarbamoylamino]acetamide is sourced from PubChem (CID 52550986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).