N-cyclopentyl-2-[[2-[[(4-fluorophenyl)-phenylmethyl]amino]acetyl]amino]benzamide

C27H28FN3O2 — CID 60537204

IUPACN-cyclopentyl-2-[[2-[[(4-fluorophenyl)-phenylmethyl]amino]acetyl]amino]benzamide
SMILESO=C(CNC(c1ccccc1)c1ccc(F)cc1)Nc1ccccc1C(=O)NC1CCCC1
InChIInChI=1S/C27H28FN3O2/c28-21-16-14-20(15-17-21)26(19-8-2-1-3-9-19)29-18-25(32)31-24-13-7-6-12-23(24)27(33)30-22-10-4-5-11-22/h1-3,6-9,12-17,22,26,29H,4-5,10-11,18H2,(H,30,33)(H,31,32)
InChIKeyGJQGOIAHTHXDIQ-UHFFFAOYSA-N
MW445.54 g/mol
LogP4.82
Rot. Bonds8

About N-cyclopentyl-2-[[2-[[(4-fluorophenyl)-phenylmethyl]amino]acetyl]amino]benzamide

N-cyclopentyl-2-[[2-[[(4-fluorophenyl)-phenylmethyl]amino]acetyl]amino]benzamide (PubChem CID 60537204) has the molecular formula C27H28FN3O2 and a molecular weight of 445.54 g/mol. Its IUPAC name is N-cyclopentyl-2-[[2-[[(4-fluorophenyl)-phenylmethyl]amino]acetyl]amino]benzamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[[2-[[(4-fluorophenyl)-phenylmethyl]amino]acetyl]amino]benzamide
PubChem CID60537204
Molecular FormulaC27H28FN3O2
Molecular Weight445.54 g/mol
Exact Mass445.22
IUPAC NameN-cyclopentyl-2-[[2-[[(4-fluorophenyl)-phenylmethyl]amino]acetyl]amino]benzamide
SMILESO=C(CNC(c1ccccc1)c1ccc(F)cc1)Nc1ccccc1C(=O)NC1CCCC1
InChIInChI=1S/C27H28FN3O2/c28-21-16-14-20(15-17-21)26(19-8-2-1-3-9-19)29-18-25(32)31-24-13-7-6-12-23(24)27(33)30-22-10-4-5-11-22/h1-3,6-9,12-17,22,26,29H,4-5,10-11,18H2,(H,30,33)(H,31,32)
InChIKeyGJQGOIAHTHXDIQ-UHFFFAOYSA-N
XLogP4.82
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.54
LogP ≤ 54.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-2-[[2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]acetyl]amino]benzamide
CID 41103017
N-(2-chlorophenyl)-2-[[(4-fluorophenyl)-phenylmethyl]amino]acetamide
CID 60537351
N-cyclopropyl-2-[[2-[[(1S)-1-phenylethyl]amino]acetyl]amino]benzamide
CID 8897970
N-cyclopentyl-2-[[2-(2,5-difluoroanilino)acetyl]amino]benzamide
CID 33162764
2-[[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl]amino]-N-cyclopropylbenzamide
CID 18144272
2-[[(R)-(4-fluorophenyl)-phenylmethyl]amino]-N-(oxan-4-yl)acetamide
CID 96516187
N-cyclopropyl-2-[[2-[[(S)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]amino]acetyl]amino]benzamide
CID 40919469
N-(2-chloro-4-fluorophenyl)-2-[[(4-fluorophenyl)-phenylmethyl]amino]acetamide
CID 60536996
2-[[(4-fluorophenyl)-phenylmethyl]amino]-N-(2-methylcyclohexyl)acetamide
CID 55896839
N-cyclopropyl-2-[[2-[[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]acetyl]amino]benzamide
CID 8923589
N-(2-acetylphenyl)-2-(benzhydrylamino)acetamide
CID 7971269
N-cyclopropyl-2-[[2-(2,4-difluorophenyl)sulfanylacetyl]amino]benzamide
CID 9046628

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[[2-[[(4-fluorophenyl)-phenylmethyl]amino]acetyl]amino]benzamide?
The IUPAC name of N-cyclopentyl-2-[[2-[[(4-fluorophenyl)-phenylmethyl]amino]acetyl]amino]benzamide (CID 60537204) is N-cyclopentyl-2-[[2-[[(4-fluorophenyl)-phenylmethyl]amino]acetyl]amino]benzamide.
What is the SMILES notation for N-cyclopentyl-2-[[2-[[(4-fluorophenyl)-phenylmethyl]amino]acetyl]amino]benzamide?
The canonical SMILES for N-cyclopentyl-2-[[2-[[(4-fluorophenyl)-phenylmethyl]amino]acetyl]amino]benzamide is O=C(CNC(c1ccccc1)c1ccc(F)cc1)Nc1ccccc1C(=O)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-2-[[2-[[(4-fluorophenyl)-phenylmethyl]amino]acetyl]amino]benzamide?
The InChIKey is GJQGOIAHTHXDIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28FN3O2/c28-21-16-14-20(15-17-21)26(19-8-2-1-3-9-19)29-18-25(32)31-24-13-7-6-12-23(24)27(33)30-22-10-4-5-11-22/h1-3,6-9,12-17,22,26,29H,4-5,10-11,18H2,(H,30,33)(H,31,32).
What are the key properties of N-cyclopentyl-2-[[2-[[(4-fluorophenyl)-phenylmethyl]amino]acetyl]amino]benzamide?
N-cyclopentyl-2-[[2-[[(4-fluorophenyl)-phenylmethyl]amino]acetyl]amino]benzamide has a molecular weight of 445.54 g/mol, XLogP of 4.82, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[[2-[[(4-fluorophenyl)-phenylmethyl]amino]acetyl]amino]benzamide is sourced from PubChem (CID 60537204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).