4-(phenylcarbamoylamino)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzamide

C26H28N4O2 — CID 55436420

IUPAC4-(phenylcarbamoylamino)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzamide
SMILESO=C(Nc1ccccc1)Nc1ccc(C(=O)NCC(c2ccccc2)N2CCCC2)cc1
InChIInChI=1S/C26H28N4O2/c31-25(27-19-24(30-17-7-8-18-30)20-9-3-1-4-10-20)21-13-15-23(16-14-21)29-26(32)28-22-11-5-2-6-12-22/h1-6,9-16,24H,7-8,17-19H2,(H,27,31)(H2,28,29,32)
InChIKeyKWIXTAQXBTZJGH-UHFFFAOYSA-N
MW428.54 g/mol
LogP4.90
Rot. Bonds7

About 4-(phenylcarbamoylamino)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzamide

4-(phenylcarbamoylamino)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzamide (PubChem CID 55436420) has the molecular formula C26H28N4O2 and a molecular weight of 428.54 g/mol. Its IUPAC name is 4-(phenylcarbamoylamino)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzamide.

Molecular Properties

Compound Name4-(phenylcarbamoylamino)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzamide
PubChem CID55436420
Molecular FormulaC26H28N4O2
Molecular Weight428.54 g/mol
Exact Mass428.22
IUPAC Name4-(phenylcarbamoylamino)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzamide
SMILESO=C(Nc1ccccc1)Nc1ccc(C(=O)NCC(c2ccccc2)N2CCCC2)cc1
InChIInChI=1S/C26H28N4O2/c31-25(27-19-24(30-17-7-8-18-30)20-9-3-1-4-10-20)21-13-15-23(16-14-21)29-26(32)28-22-11-5-2-6-12-22/h1-6,9-16,24H,7-8,17-19H2,(H,27,31)(H2,28,29,32)
InChIKeyKWIXTAQXBTZJGH-UHFFFAOYSA-N
XLogP4.90
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.54
LogP ≤ 54.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-4-(phenylcarbamoylamino)benzamide
CID 95343423
N-[(2R)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 35180369
N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-(propan-2-ylcarbamoylamino)benzamide
CID 55841557
4-(acetamidomethyl)-N-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]benzamide
CID 31331095
3,4-difluoro-N-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]benzamide
CID 51710589
1-(2-phenyl-2-pyrrolidin-1-ylethyl)-3-pyridin-3-ylurea
CID 18101910
N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-4-(propan-2-ylcarbamoylamino)benzamide
CID 55950109
1-[2-(azepan-1-yl)-2-phenylethyl]-3-pyridin-3-ylurea
CID 118775624
N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]benzamide
CID 16931885
3-methyl-N-(2-phenyl-2-piperidin-1-ylethyl)benzamide
CID 45155327
3,4-dimethoxy-N-(2-phenyl-2-piperidin-1-ylethyl)benzamide
CID 110357424
4-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzamide
CID 46650781

Frequently Asked Questions

What is the IUPAC name of 4-(phenylcarbamoylamino)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzamide?
The IUPAC name of 4-(phenylcarbamoylamino)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzamide (CID 55436420) is 4-(phenylcarbamoylamino)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzamide.
What is the SMILES notation for 4-(phenylcarbamoylamino)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzamide?
The canonical SMILES for 4-(phenylcarbamoylamino)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzamide is O=C(Nc1ccccc1)Nc1ccc(C(=O)NCC(c2ccccc2)N2CCCC2)cc1.
What is the InChIKey of 4-(phenylcarbamoylamino)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzamide?
The InChIKey is KWIXTAQXBTZJGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O2/c31-25(27-19-24(30-17-7-8-18-30)20-9-3-1-4-10-20)21-13-15-23(16-14-21)29-26(32)28-22-11-5-2-6-12-22/h1-6,9-16,24H,7-8,17-19H2,(H,27,31)(H2,28,29,32).
What are the key properties of 4-(phenylcarbamoylamino)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzamide?
4-(phenylcarbamoylamino)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzamide has a molecular weight of 428.54 g/mol, XLogP of 4.90, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(phenylcarbamoylamino)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzamide is sourced from PubChem (CID 55436420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).