N-[(R)-(1-benzylindol-3-yl)-(4-fluorophenyl)methyl]benzamide

C29H23FN2O — CID 102319703

IUPACN-[(R)-(1-benzylindol-3-yl)-(4-fluorophenyl)methyl]benzamide
SMILESO=C(N[C@H](c1ccc(F)cc1)c1cn(Cc2ccccc2)c2ccccc12)c1ccccc1
InChIInChI=1S/C29H23FN2O/c30-24-17-15-22(16-18-24)28(31-29(33)23-11-5-2-6-12-23)26-20-32(19-21-9-3-1-4-10-21)27-14-8-7-13-25(26)27/h1-18,20,28H,19H2,(H,31,33)/t28-/m1/s1
InChIKeyKHTUYVRLSVUNQJ-MUUNZHRXSA-N
MW434.51 g/mol
LogP6.35
Rot. Bonds6

About N-[(R)-(1-benzylindol-3-yl)-(4-fluorophenyl)methyl]benzamide

N-[(R)-(1-benzylindol-3-yl)-(4-fluorophenyl)methyl]benzamide (PubChem CID 102319703) has the molecular formula C29H23FN2O and a molecular weight of 434.51 g/mol. Its IUPAC name is N-[(R)-(1-benzylindol-3-yl)-(4-fluorophenyl)methyl]benzamide.

Molecular Properties

Compound NameN-[(R)-(1-benzylindol-3-yl)-(4-fluorophenyl)methyl]benzamide
PubChem CID102319703
Molecular FormulaC29H23FN2O
Molecular Weight434.51 g/mol
Exact Mass434.18
IUPAC NameN-[(R)-(1-benzylindol-3-yl)-(4-fluorophenyl)methyl]benzamide
SMILESO=C(N[C@H](c1ccc(F)cc1)c1cn(Cc2ccccc2)c2ccccc12)c1ccccc1
InChIInChI=1S/C29H23FN2O/c30-24-17-15-22(16-18-24)28(31-29(33)23-11-5-2-6-12-23)26-20-32(19-21-9-3-1-4-10-21)27-14-8-7-13-25(26)27/h1-18,20,28H,19H2,(H,31,33)/t28-/m1/s1
InChIKeyKHTUYVRLSVUNQJ-MUUNZHRXSA-N
XLogP6.35
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.51
LogP ≤ 56.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 3-[(R)-benzamido(phenyl)methyl]-1-benzylindole-5-carboxylate
CID 102319711
(3R)-3-(1-benzylindol-3-yl)-3-(4-fluorophenyl)-1-pyrrolidin-1-ylpropan-1-one
CID 93110563
[1-[(4-fluorophenyl)methyl]indol-3-yl]-phenylmethanone
CID 963177
N-(2-fluorophenyl)-3-(4-fluorophenyl)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]propanamide
CID 42774253
3-(1-benzylindol-3-yl)-3-(4-fluorophenyl)-N-(furan-2-ylmethyl)propanamide
CID 4578736
(3R)-3-(4-fluorophenyl)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(2-phenylethyl)propanamide
CID 92917262
3-(4-fluorophenyl)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(furan-2-ylmethyl)propanamide
CID 4019115
N-benzyl-3-(1-benzylindol-3-yl)-N-[2-(dimethylamino)ethyl]-3-(4-fluorophenyl)propanamide
CID 4299121
(2R)-2-(1-benzylindol-3-yl)butanedioic acid
CID 802057
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]benzamide
CID 46565128
(3S)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(pyridin-4-ylmethyl)-3-[4-(trifluoromethyl)phenyl]propanamide
CID 98443722
3-(1-benzylindol-3-yl)-3-(4-fluorophenyl)-N-(2-pyridin-2-ylethyl)propanamide
CID 5003122

Frequently Asked Questions

What is the IUPAC name of N-[(R)-(1-benzylindol-3-yl)-(4-fluorophenyl)methyl]benzamide?
The IUPAC name of N-[(R)-(1-benzylindol-3-yl)-(4-fluorophenyl)methyl]benzamide (CID 102319703) is N-[(R)-(1-benzylindol-3-yl)-(4-fluorophenyl)methyl]benzamide.
What is the SMILES notation for N-[(R)-(1-benzylindol-3-yl)-(4-fluorophenyl)methyl]benzamide?
The canonical SMILES for N-[(R)-(1-benzylindol-3-yl)-(4-fluorophenyl)methyl]benzamide is O=C(N[C@H](c1ccc(F)cc1)c1cn(Cc2ccccc2)c2ccccc12)c1ccccc1.
What is the InChIKey of N-[(R)-(1-benzylindol-3-yl)-(4-fluorophenyl)methyl]benzamide?
The InChIKey is KHTUYVRLSVUNQJ-MUUNZHRXSA-N. The full InChI is InChI=1S/C29H23FN2O/c30-24-17-15-22(16-18-24)28(31-29(33)23-11-5-2-6-12-23)26-20-32(19-21-9-3-1-4-10-21)27-14-8-7-13-25(26)27/h1-18,20,28H,19H2,(H,31,33)/t28-/m1/s1.
What are the key properties of N-[(R)-(1-benzylindol-3-yl)-(4-fluorophenyl)methyl]benzamide?
N-[(R)-(1-benzylindol-3-yl)-(4-fluorophenyl)methyl]benzamide has a molecular weight of 434.51 g/mol, XLogP of 6.35, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-(1-benzylindol-3-yl)-(4-fluorophenyl)methyl]benzamide is sourced from PubChem (CID 102319703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).