N-cyclopentyl-4-fluoro-N-[[(2S)-4-[(2-hydroxyphenyl)methyl]morpholin-2-yl]methyl]benzamide

C24H29FN2O3 — CID 92989874

IUPACN-cyclopentyl-4-fluoro-N-[[(2S)-4-[(2-hydroxyphenyl)methyl]morpholin-2-yl]methyl]benzamide
SMILESO=C(c1ccc(F)cc1)N(C[C@@H]1CN(Cc2ccccc2O)CCO1)C1CCCC1
InChIInChI=1S/C24H29FN2O3/c25-20-11-9-18(10-12-20)24(29)27(21-6-2-3-7-21)17-22-16-26(13-14-30-22)15-19-5-1-4-8-23(19)28/h1,4-5,8-12,21-22,28H,2-3,6-7,13-17H2/t22-/m0/s1
InChIKeyFQDWKKQQEXRTHP-QFIPXVFZSA-N
MW412.51 g/mol
LogP3.82
Rot. Bonds6

About N-cyclopentyl-4-fluoro-N-[[(2S)-4-[(2-hydroxyphenyl)methyl]morpholin-2-yl]methyl]benzamide

N-cyclopentyl-4-fluoro-N-[[(2S)-4-[(2-hydroxyphenyl)methyl]morpholin-2-yl]methyl]benzamide (PubChem CID 92989874) has the molecular formula C24H29FN2O3 and a molecular weight of 412.51 g/mol. Its IUPAC name is N-cyclopentyl-4-fluoro-N-[[(2S)-4-[(2-hydroxyphenyl)methyl]morpholin-2-yl]methyl]benzamide.

Molecular Properties

Compound NameN-cyclopentyl-4-fluoro-N-[[(2S)-4-[(2-hydroxyphenyl)methyl]morpholin-2-yl]methyl]benzamide
PubChem CID92989874
Molecular FormulaC24H29FN2O3
Molecular Weight412.51 g/mol
Exact Mass412.22
IUPAC NameN-cyclopentyl-4-fluoro-N-[[(2S)-4-[(2-hydroxyphenyl)methyl]morpholin-2-yl]methyl]benzamide
SMILESO=C(c1ccc(F)cc1)N(C[C@@H]1CN(Cc2ccccc2O)CCO1)C1CCCC1
InChIInChI=1S/C24H29FN2O3/c25-20-11-9-18(10-12-20)24(29)27(21-6-2-3-7-21)17-22-16-26(13-14-30-22)15-19-5-1-4-8-23(19)28/h1,4-5,8-12,21-22,28H,2-3,6-7,13-17H2/t22-/m0/s1
InChIKeyFQDWKKQQEXRTHP-QFIPXVFZSA-N
XLogP3.82
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.51
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

N-cyclopentyl-4-fluoro-N-[[(2S)-4-[(4-fluorophenyl)methyl]morpholin-2-yl]methyl]benzamide
CID 92989858
N-cyclopentyl-4-fluoro-N-[[4-[[4-(trifluoromethyl)phenyl]methyl]morpholin-2-yl]methyl]benzamide
CID 42862529
N-cyclopentyl-N-[[4-[(3,5-dimethoxyphenyl)methyl]morpholin-2-yl]methyl]-4-fluorobenzamide
CID 42862531
N-cyclopentyl-4-fluoro-N-[[4-(2-methylbenzoyl)morpholin-2-yl]methyl]benzamide
CID 42861743
N-cyclopentyl-N-[[4-(2-hydroxybutyl)morpholin-2-yl]methyl]-4-methylbenzamide
CID 42862421
N-cyclopentyl-N-[[4-(furan-2-ylmethyl)morpholin-2-yl]methyl]-4-methoxybenzamide
CID 42862547
N-cyclopentyl-4-fluoro-N-[[4-(quinoxaline-2-carbonyl)morpholin-2-yl]methyl]benzamide
CID 42861747
N-cyclopentyl-N-[[4-(2,4-difluorobenzoyl)morpholin-2-yl]methyl]benzamide
CID 42861770
N-cyclopentyl-N-[[(2S)-4-[(3-methoxyphenyl)methyl]morpholin-2-yl]methyl]-4-methylbenzamide
CID 92989898
N-[[(2R)-4-[(2-hydroxyphenyl)methyl]morpholin-2-yl]methyl]-N-(3-methylbutyl)benzamide
CID 92988428
N-[[4-[(2-hydroxyphenyl)methyl]morpholin-2-yl]methyl]-4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 42862483
N-cyclopentyl-N-[[4-[(4-fluorophenyl)carbamothioyl]morpholin-2-yl]methyl]-4-methoxybenzamide
CID 42862616

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-fluoro-N-[[(2S)-4-[(2-hydroxyphenyl)methyl]morpholin-2-yl]methyl]benzamide?
The IUPAC name of N-cyclopentyl-4-fluoro-N-[[(2S)-4-[(2-hydroxyphenyl)methyl]morpholin-2-yl]methyl]benzamide (CID 92989874) is N-cyclopentyl-4-fluoro-N-[[(2S)-4-[(2-hydroxyphenyl)methyl]morpholin-2-yl]methyl]benzamide.
What is the SMILES notation for N-cyclopentyl-4-fluoro-N-[[(2S)-4-[(2-hydroxyphenyl)methyl]morpholin-2-yl]methyl]benzamide?
The canonical SMILES for N-cyclopentyl-4-fluoro-N-[[(2S)-4-[(2-hydroxyphenyl)methyl]morpholin-2-yl]methyl]benzamide is O=C(c1ccc(F)cc1)N(C[C@@H]1CN(Cc2ccccc2O)CCO1)C1CCCC1.
What is the InChIKey of N-cyclopentyl-4-fluoro-N-[[(2S)-4-[(2-hydroxyphenyl)methyl]morpholin-2-yl]methyl]benzamide?
The InChIKey is FQDWKKQQEXRTHP-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H29FN2O3/c25-20-11-9-18(10-12-20)24(29)27(21-6-2-3-7-21)17-22-16-26(13-14-30-22)15-19-5-1-4-8-23(19)28/h1,4-5,8-12,21-22,28H,2-3,6-7,13-17H2/t22-/m0/s1.
What are the key properties of N-cyclopentyl-4-fluoro-N-[[(2S)-4-[(2-hydroxyphenyl)methyl]morpholin-2-yl]methyl]benzamide?
N-cyclopentyl-4-fluoro-N-[[(2S)-4-[(2-hydroxyphenyl)methyl]morpholin-2-yl]methyl]benzamide has a molecular weight of 412.51 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-fluoro-N-[[(2S)-4-[(2-hydroxyphenyl)methyl]morpholin-2-yl]methyl]benzamide is sourced from PubChem (CID 92989874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).