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

C24H28F2N2O2 — CID 92989858

IUPACN-cyclopentyl-4-fluoro-N-[[(2S)-4-[(4-fluorophenyl)methyl]morpholin-2-yl]methyl]benzamide
SMILESO=C(c1ccc(F)cc1)N(C[C@@H]1CN(Cc2ccc(F)cc2)CCO1)C1CCCC1
InChIInChI=1S/C24H28F2N2O2/c25-20-9-5-18(6-10-20)15-27-13-14-30-23(16-27)17-28(22-3-1-2-4-22)24(29)19-7-11-21(26)12-8-19/h5-12,22-23H,1-4,13-17H2/t23-/m0/s1
InChIKeyWQRIZGBKVUICEV-QHCPKHFHSA-N
MW414.50 g/mol
LogP4.25
Rot. Bonds6

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

N-cyclopentyl-4-fluoro-N-[[(2S)-4-[(4-fluorophenyl)methyl]morpholin-2-yl]methyl]benzamide (PubChem CID 92989858) has the molecular formula C24H28F2N2O2 and a molecular weight of 414.50 g/mol. Its IUPAC name is N-cyclopentyl-4-fluoro-N-[[(2S)-4-[(4-fluorophenyl)methyl]morpholin-2-yl]methyl]benzamide.

Molecular Properties

Compound NameN-cyclopentyl-4-fluoro-N-[[(2S)-4-[(4-fluorophenyl)methyl]morpholin-2-yl]methyl]benzamide
PubChem CID92989858
Molecular FormulaC24H28F2N2O2
Molecular Weight414.50 g/mol
Exact Mass414.21
IUPAC NameN-cyclopentyl-4-fluoro-N-[[(2S)-4-[(4-fluorophenyl)methyl]morpholin-2-yl]methyl]benzamide
SMILESO=C(c1ccc(F)cc1)N(C[C@@H]1CN(Cc2ccc(F)cc2)CCO1)C1CCCC1
InChIInChI=1S/C24H28F2N2O2/c25-20-9-5-18(6-10-20)15-27-13-14-30-23(16-27)17-28(22-3-1-2-4-22)24(29)19-7-11-21(26)12-8-19/h5-12,22-23H,1-4,13-17H2/t23-/m0/s1
InChIKeyWQRIZGBKVUICEV-QHCPKHFHSA-N
XLogP4.25
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.50
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-4-fluoro-N-[[4-[[4-(trifluoromethyl)phenyl]methyl]morpholin-2-yl]methyl]benzamide
CID 42862529
N-cyclopentyl-4-fluoro-N-[[(2S)-4-[(2-hydroxyphenyl)methyl]morpholin-2-yl]methyl]benzamide
CID 92989874
N-cyclopentyl-N-[[4-[(3,5-dimethoxyphenyl)methyl]morpholin-2-yl]methyl]-4-fluorobenzamide
CID 42862531
N-cyclopentyl-N-[[(2S)-4-[(3-methoxyphenyl)methyl]morpholin-2-yl]methyl]-4-methylbenzamide
CID 92989898
N-cyclopentyl-N-[[4-(2-hydroxybutyl)morpholin-2-yl]methyl]-4-methylbenzamide
CID 42862421
N-cyclopentyl-4-fluoro-N-[[4-(2-methylbenzoyl)morpholin-2-yl]methyl]benzamide
CID 42861743
4-fluoro-N-(2-methoxyethyl)-N-[[4-[(4-methylphenyl)methyl]morpholin-2-yl]methyl]benzamide
CID 46041263
N-[2-(dimethylamino)ethyl]-4-fluoro-N-[[4-[(4-methoxyphenyl)methyl]morpholin-2-yl]methyl]benzamide
CID 42862510
N-cyclopentyl-N-[[4-[(4-fluorophenyl)carbamothioyl]morpholin-2-yl]methyl]-4-methoxybenzamide
CID 42862616
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-[(4-benzylmorpholin-2-yl)methyl]-4-fluorobenzamide
CID 46522835

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-fluoro-N-[[(2S)-4-[(4-fluorophenyl)methyl]morpholin-2-yl]methyl]benzamide?
The IUPAC name of N-cyclopentyl-4-fluoro-N-[[(2S)-4-[(4-fluorophenyl)methyl]morpholin-2-yl]methyl]benzamide (CID 92989858) is N-cyclopentyl-4-fluoro-N-[[(2S)-4-[(4-fluorophenyl)methyl]morpholin-2-yl]methyl]benzamide.
What is the SMILES notation for N-cyclopentyl-4-fluoro-N-[[(2S)-4-[(4-fluorophenyl)methyl]morpholin-2-yl]methyl]benzamide?
The canonical SMILES for N-cyclopentyl-4-fluoro-N-[[(2S)-4-[(4-fluorophenyl)methyl]morpholin-2-yl]methyl]benzamide is O=C(c1ccc(F)cc1)N(C[C@@H]1CN(Cc2ccc(F)cc2)CCO1)C1CCCC1.
What is the InChIKey of N-cyclopentyl-4-fluoro-N-[[(2S)-4-[(4-fluorophenyl)methyl]morpholin-2-yl]methyl]benzamide?
The InChIKey is WQRIZGBKVUICEV-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H28F2N2O2/c25-20-9-5-18(6-10-20)15-27-13-14-30-23(16-27)17-28(22-3-1-2-4-22)24(29)19-7-11-21(26)12-8-19/h5-12,22-23H,1-4,13-17H2/t23-/m0/s1.
What are the key properties of N-cyclopentyl-4-fluoro-N-[[(2S)-4-[(4-fluorophenyl)methyl]morpholin-2-yl]methyl]benzamide?
N-cyclopentyl-4-fluoro-N-[[(2S)-4-[(4-fluorophenyl)methyl]morpholin-2-yl]methyl]benzamide has a molecular weight of 414.50 g/mol, XLogP of 4.25, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-fluoro-N-[[(2S)-4-[(4-fluorophenyl)methyl]morpholin-2-yl]methyl]benzamide is sourced from PubChem (CID 92989858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).