N-[4-[(2R,3S,6S)-6-[(4-chlorophenyl)methyl]-3-prop-1-en-2-yloxan-2-yl]phenyl]acetamide

C23H26ClNO2 — CID 175658814

IUPACN-[4-[(2R,3S,6S)-6-[(4-chlorophenyl)methyl]-3-prop-1-en-2-yloxan-2-yl]phenyl]acetamide
SMILESC=C(C)[C@@H]1CC[C@@H](Cc2ccc(Cl)cc2)O[C@H]1c1ccc(NC(C)=O)cc1
InChIInChI=1S/C23H26ClNO2/c1-15(2)22-13-12-21(14-17-4-8-19(24)9-5-17)27-23(22)18-6-10-20(11-7-18)25-16(3)26/h4-11,21-23H,1,12-14H2,2-3H3,(H,25,26)/t21-,22-,23-/m0/s1
InChIKeyLCJJFWCDQWBVTR-VABKMULXSA-N
MW383.92 g/mol
LogP5.95
Rot. Bonds5

About N-[4-[(2R,3S,6S)-6-[(4-chlorophenyl)methyl]-3-prop-1-en-2-yloxan-2-yl]phenyl]acetamide

N-[4-[(2R,3S,6S)-6-[(4-chlorophenyl)methyl]-3-prop-1-en-2-yloxan-2-yl]phenyl]acetamide (PubChem CID 175658814) has the molecular formula C23H26ClNO2 and a molecular weight of 383.92 g/mol. Its IUPAC name is N-[4-[(2R,3S,6S)-6-[(4-chlorophenyl)methyl]-3-prop-1-en-2-yloxan-2-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(2R,3S,6S)-6-[(4-chlorophenyl)methyl]-3-prop-1-en-2-yloxan-2-yl]phenyl]acetamide
PubChem CID175658814
Molecular FormulaC23H26ClNO2
Molecular Weight383.92 g/mol
Exact Mass383.17
IUPAC NameN-[4-[(2R,3S,6S)-6-[(4-chlorophenyl)methyl]-3-prop-1-en-2-yloxan-2-yl]phenyl]acetamide
SMILESC=C(C)[C@@H]1CC[C@@H](Cc2ccc(Cl)cc2)O[C@H]1c1ccc(NC(C)=O)cc1
InChIInChI=1S/C23H26ClNO2/c1-15(2)22-13-12-21(14-17-4-8-19(24)9-5-17)27-23(22)18-6-10-20(11-7-18)25-16(3)26/h4-11,21-23H,1,12-14H2,2-3H3,(H,25,26)/t21-,22-,23-/m0/s1
InChIKeyLCJJFWCDQWBVTR-VABKMULXSA-N
XLogP5.95
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.92
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-(4-(morpholin-2-yl)phenyl)benzamide
CID 67239284
4-chloro-N-[4-[(2R)-morpholin-2-yl]phenyl]benzamide
CID 53251570
(4-chlorophenyl)methyl N-[4-[(3S)-piperidin-3-yl]phenyl]carbamate
CID 67239516
1-(4-chlorophenyl)ethyl N-(4-pyrrolidin-3-ylphenyl)carbamate
CID 67240143
[1-(4-chlorophenyl)-3-(dimethylamino)propyl] N-(4-phenylphenyl)carbamate
CID 11627432
4-chloro-N-[4-(4-methylmorpholin-2-yl)phenyl]benzamide
CID 53251093
4-chloro-N-[4-[(2S)-morpholin-2-yl]phenyl]benzamide
CID 53251571
N-[(4-chloro-2-fluorophenyl)methyl]-4-[(2S)-morpholin-2-yl]aniline
CID 68325395
N-[2-(4-chlorophenyl)ethyl]-4-[(2S)-morpholin-2-yl]aniline
CID 68325470
(RS)-(4-chloro-benzyl)-(4-morpholin-2-yl-phenyl)-amine
CID 68325558
N-[1-(4-chlorophenyl)ethyl]-4-[(2S)-morpholin-2-yl]aniline
CID 68325581
4-(p-Chlorohydrocinnamamido)benzoic acid, ethyl ester
CID 13503432

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2R,3S,6S)-6-[(4-chlorophenyl)methyl]-3-prop-1-en-2-yloxan-2-yl]phenyl]acetamide?
The IUPAC name of N-[4-[(2R,3S,6S)-6-[(4-chlorophenyl)methyl]-3-prop-1-en-2-yloxan-2-yl]phenyl]acetamide (CID 175658814) is N-[4-[(2R,3S,6S)-6-[(4-chlorophenyl)methyl]-3-prop-1-en-2-yloxan-2-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(2R,3S,6S)-6-[(4-chlorophenyl)methyl]-3-prop-1-en-2-yloxan-2-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[(2R,3S,6S)-6-[(4-chlorophenyl)methyl]-3-prop-1-en-2-yloxan-2-yl]phenyl]acetamide is C=C(C)[C@@H]1CC[C@@H](Cc2ccc(Cl)cc2)O[C@H]1c1ccc(NC(C)=O)cc1.
What is the InChIKey of N-[4-[(2R,3S,6S)-6-[(4-chlorophenyl)methyl]-3-prop-1-en-2-yloxan-2-yl]phenyl]acetamide?
The InChIKey is LCJJFWCDQWBVTR-VABKMULXSA-N. The full InChI is InChI=1S/C23H26ClNO2/c1-15(2)22-13-12-21(14-17-4-8-19(24)9-5-17)27-23(22)18-6-10-20(11-7-18)25-16(3)26/h4-11,21-23H,1,12-14H2,2-3H3,(H,25,26)/t21-,22-,23-/m0/s1.
What are the key properties of N-[4-[(2R,3S,6S)-6-[(4-chlorophenyl)methyl]-3-prop-1-en-2-yloxan-2-yl]phenyl]acetamide?
N-[4-[(2R,3S,6S)-6-[(4-chlorophenyl)methyl]-3-prop-1-en-2-yloxan-2-yl]phenyl]acetamide has a molecular weight of 383.92 g/mol, XLogP of 5.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2R,3S,6S)-6-[(4-chlorophenyl)methyl]-3-prop-1-en-2-yloxan-2-yl]phenyl]acetamide is sourced from PubChem (CID 175658814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).