N-[2-(4-bromoanilino)-2-oxoethyl]-4-(phenylcarbamoylamino)benzamide

C22H19BrN4O3 — CID 55960943

IUPACN-[2-(4-bromoanilino)-2-oxoethyl]-4-(phenylcarbamoylamino)benzamide
SMILESO=C(CNC(=O)c1ccc(NC(=O)Nc2ccccc2)cc1)Nc1ccc(Br)cc1
InChIInChI=1S/C22H19BrN4O3/c23-16-8-12-18(13-9-16)25-20(28)14-24-21(29)15-6-10-19(11-7-15)27-22(30)26-17-4-2-1-3-5-17/h1-13H,14H2,(H,24,29)(H,25,28)(H2,26,27,30)
InChIKeyIXQWHQFYDHHPIQ-UHFFFAOYSA-N
MW467.32 g/mol
LogP4.46
Rot. Bonds6

About N-[2-(4-bromoanilino)-2-oxoethyl]-4-(phenylcarbamoylamino)benzamide

N-[2-(4-bromoanilino)-2-oxoethyl]-4-(phenylcarbamoylamino)benzamide (PubChem CID 55960943) has the molecular formula C22H19BrN4O3 and a molecular weight of 467.32 g/mol. Its IUPAC name is N-[2-(4-bromoanilino)-2-oxoethyl]-4-(phenylcarbamoylamino)benzamide.

Molecular Properties

Compound NameN-[2-(4-bromoanilino)-2-oxoethyl]-4-(phenylcarbamoylamino)benzamide
PubChem CID55960943
Molecular FormulaC22H19BrN4O3
Molecular Weight467.32 g/mol
Exact Mass466.06
IUPAC NameN-[2-(4-bromoanilino)-2-oxoethyl]-4-(phenylcarbamoylamino)benzamide
SMILESO=C(CNC(=O)c1ccc(NC(=O)Nc2ccccc2)cc1)Nc1ccc(Br)cc1
InChIInChI=1S/C22H19BrN4O3/c23-16-8-12-18(13-9-16)25-20(28)14-24-21(29)15-6-10-19(11-7-15)27-22(30)26-17-4-2-1-3-5-17/h1-13H,14H2,(H,24,29)(H,25,28)(H2,26,27,30)
InChIKeyIXQWHQFYDHHPIQ-UHFFFAOYSA-N
XLogP4.46
TPSA99.33 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.32
LogP ≤ 54.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-anilino-2-oxoethyl)-4-methylbenzamide
CID 4010991
4-[2-(aminomethyl)phenyl]-N-[2-(4-bromoanilino)-2-oxoethyl]benzamide
CID 142065385
4-bromo-N-[2-(3,4-difluoroanilino)-2-oxoethyl]benzamide
CID 7930162
4-bromo-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]benzamide
CID 35184223
4-bromo-N-[2-oxo-2-(4-pyrazol-1-ylanilino)ethyl]benzamide
CID 55980228
N-ethyl-4-(phenylcarbamoylamino)benzamide
CID 17234281
4-bromo-N-[2-(3-methylsulfanylanilino)-2-oxoethyl]benzamide
CID 9402849
4-bromo-N-[2-oxo-2-[4-(1H-pyrazol-5-yl)anilino]ethyl]benzamide
CID 55995142
N-[2-(3-methylanilino)-2-oxoethyl]benzamide
CID 2968363
N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-4-(phenylcarbamoylamino)benzamide
CID 46551082
2-[(4-bromophenyl)carbamoylamino]-N-(4-fluorophenyl)acetamide
CID 60605382
4-[[2-(4-bromoanilino)acetyl]amino]-N-propylbenzamide
CID 54811079

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromoanilino)-2-oxoethyl]-4-(phenylcarbamoylamino)benzamide?
The IUPAC name of N-[2-(4-bromoanilino)-2-oxoethyl]-4-(phenylcarbamoylamino)benzamide (CID 55960943) is N-[2-(4-bromoanilino)-2-oxoethyl]-4-(phenylcarbamoylamino)benzamide.
What is the SMILES notation for N-[2-(4-bromoanilino)-2-oxoethyl]-4-(phenylcarbamoylamino)benzamide?
The canonical SMILES for N-[2-(4-bromoanilino)-2-oxoethyl]-4-(phenylcarbamoylamino)benzamide is O=C(CNC(=O)c1ccc(NC(=O)Nc2ccccc2)cc1)Nc1ccc(Br)cc1.
What is the InChIKey of N-[2-(4-bromoanilino)-2-oxoethyl]-4-(phenylcarbamoylamino)benzamide?
The InChIKey is IXQWHQFYDHHPIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19BrN4O3/c23-16-8-12-18(13-9-16)25-20(28)14-24-21(29)15-6-10-19(11-7-15)27-22(30)26-17-4-2-1-3-5-17/h1-13H,14H2,(H,24,29)(H,25,28)(H2,26,27,30).
What are the key properties of N-[2-(4-bromoanilino)-2-oxoethyl]-4-(phenylcarbamoylamino)benzamide?
N-[2-(4-bromoanilino)-2-oxoethyl]-4-(phenylcarbamoylamino)benzamide has a molecular weight of 467.32 g/mol, XLogP of 4.46, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromoanilino)-2-oxoethyl]-4-(phenylcarbamoylamino)benzamide is sourced from PubChem (CID 55960943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).