N-[1-(4-bromophenyl)propan-2-yl]-4-(cyclopropylcarbamoylamino)benzamide

C20H22BrN3O2 — CID 55849036

IUPACN-[1-(4-bromophenyl)propan-2-yl]-4-(cyclopropylcarbamoylamino)benzamide
SMILESCC(Cc1ccc(Br)cc1)NC(=O)c1ccc(NC(=O)NC2CC2)cc1
InChIInChI=1S/C20H22BrN3O2/c1-13(12-14-2-6-16(21)7-3-14)22-19(25)15-4-8-17(9-5-15)23-20(26)24-18-10-11-18/h2-9,13,18H,10-12H2,1H3,(H,22,25)(H2,23,24,26)
InChIKeyJCAGHWYXYKCWDK-UHFFFAOYSA-N
MW416.32 g/mol
LogP4.09
Rot. Bonds6

About N-[1-(4-bromophenyl)propan-2-yl]-4-(cyclopropylcarbamoylamino)benzamide

N-[1-(4-bromophenyl)propan-2-yl]-4-(cyclopropylcarbamoylamino)benzamide (PubChem CID 55849036) has the molecular formula C20H22BrN3O2 and a molecular weight of 416.32 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)propan-2-yl]-4-(cyclopropylcarbamoylamino)benzamide.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)propan-2-yl]-4-(cyclopropylcarbamoylamino)benzamide
PubChem CID55849036
Molecular FormulaC20H22BrN3O2
Molecular Weight416.32 g/mol
Exact Mass415.09
IUPAC NameN-[1-(4-bromophenyl)propan-2-yl]-4-(cyclopropylcarbamoylamino)benzamide
SMILESCC(Cc1ccc(Br)cc1)NC(=O)c1ccc(NC(=O)NC2CC2)cc1
InChIInChI=1S/C20H22BrN3O2/c1-13(12-14-2-6-16(21)7-3-14)22-19(25)15-4-8-17(9-5-15)23-20(26)24-18-10-11-18/h2-9,13,18H,10-12H2,1H3,(H,22,25)(H2,23,24,26)
InChIKeyJCAGHWYXYKCWDK-UHFFFAOYSA-N
XLogP4.09
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.32
LogP ≤ 54.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4-(cyclohexylcarbamoylamino)-N-propan-2-ylbenzamide
CID 17180621
N-cyclopropyl-4-(cyclopropylcarbamoylamino)benzamide
CID 17180568
4-acetamido-N-[(2S)-1-(4-hydroxyphenyl)propan-2-yl]benzamide
CID 97236104
1-(4-bromophenyl)-3-cycloheptylurea
CID 47132836
1-N-cyclopropyl-4-N-(1-thiophen-3-ylpropan-2-yl)benzene-1,4-dicarboxamide
CID 75390351
1-[4-(butan-2-ylamino)phenyl]-3-cyclopropylurea
CID 112980511
4-(cyclopropylcarbamoylamino)-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide
CID 55665995
4-bromo-N-[1-(furan-3-yl)propan-2-yl]benzamide
CID 121127042
4-(cyclopropylcarbamoylamino)-N-phenylbenzamide
CID 39885806
N-[1-(4-bromophenyl)propan-2-yl]-4-(diethylsulfamoyl)benzamide
CID 55778771
N-[1-[4-(cyclopropylcarbamoylamino)anilino]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide
CID 55531749
4-bromo-N-[2-(cyclopropylcarbamoylamino)ethyl]benzamide
CID 47322636

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)propan-2-yl]-4-(cyclopropylcarbamoylamino)benzamide?
The IUPAC name of N-[1-(4-bromophenyl)propan-2-yl]-4-(cyclopropylcarbamoylamino)benzamide (CID 55849036) is N-[1-(4-bromophenyl)propan-2-yl]-4-(cyclopropylcarbamoylamino)benzamide.
What is the SMILES notation for N-[1-(4-bromophenyl)propan-2-yl]-4-(cyclopropylcarbamoylamino)benzamide?
The canonical SMILES for N-[1-(4-bromophenyl)propan-2-yl]-4-(cyclopropylcarbamoylamino)benzamide is CC(Cc1ccc(Br)cc1)NC(=O)c1ccc(NC(=O)NC2CC2)cc1.
What is the InChIKey of N-[1-(4-bromophenyl)propan-2-yl]-4-(cyclopropylcarbamoylamino)benzamide?
The InChIKey is JCAGHWYXYKCWDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22BrN3O2/c1-13(12-14-2-6-16(21)7-3-14)22-19(25)15-4-8-17(9-5-15)23-20(26)24-18-10-11-18/h2-9,13,18H,10-12H2,1H3,(H,22,25)(H2,23,24,26).
What are the key properties of N-[1-(4-bromophenyl)propan-2-yl]-4-(cyclopropylcarbamoylamino)benzamide?
N-[1-(4-bromophenyl)propan-2-yl]-4-(cyclopropylcarbamoylamino)benzamide has a molecular weight of 416.32 g/mol, XLogP of 4.09, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)propan-2-yl]-4-(cyclopropylcarbamoylamino)benzamide is sourced from PubChem (CID 55849036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).