N-(3-chloro-2-methylphenyl)-2-(2,2-dimethylmorpholin-4-yl)propanamide

C16H23ClN2O2 — CID 86984159

IUPACN-(3-chloro-2-methylphenyl)-2-(2,2-dimethylmorpholin-4-yl)propanamide
SMILESCc1c(Cl)cccc1NC(=O)C(C)N1CCOC(C)(C)C1
InChIInChI=1S/C16H23ClN2O2/c1-11-13(17)6-5-7-14(11)18-15(20)12(2)19-8-9-21-16(3,4)10-19/h5-7,12H,8-10H2,1-4H3,(H,18,20)
InChIKeyZHKDHFAXWDUNKA-UHFFFAOYSA-N
MW310.83 g/mol
LogP3.09
Rot. Bonds3

About N-(3-chloro-2-methylphenyl)-2-(2,2-dimethylmorpholin-4-yl)propanamide

N-(3-chloro-2-methylphenyl)-2-(2,2-dimethylmorpholin-4-yl)propanamide (PubChem CID 86984159) has the molecular formula C16H23ClN2O2 and a molecular weight of 310.83 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-2-(2,2-dimethylmorpholin-4-yl)propanamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-2-(2,2-dimethylmorpholin-4-yl)propanamide
PubChem CID86984159
Molecular FormulaC16H23ClN2O2
Molecular Weight310.83 g/mol
Exact Mass310.14
IUPAC NameN-(3-chloro-2-methylphenyl)-2-(2,2-dimethylmorpholin-4-yl)propanamide
SMILESCc1c(Cl)cccc1NC(=O)C(C)N1CCOC(C)(C)C1
InChIInChI=1S/C16H23ClN2O2/c1-11-13(17)6-5-7-14(11)18-15(20)12(2)19-8-9-21-16(3,4)10-19/h5-7,12H,8-10H2,1-4H3,(H,18,20)
InChIKeyZHKDHFAXWDUNKA-UHFFFAOYSA-N
XLogP3.09
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.83
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)propanamide
CID 43592372
N-(3-chloro-2-methylphenyl)-2-(2,6-dimethylmorpholin-4-yl)propanamide
CID 46630775
N-(3-chloro-2-methylphenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]propanamide
CID 46563154
N-(2,5-difluorophenyl)-2-(2,2-dimethylmorpholin-4-yl)propanamide
CID 86984158
2-(2,2-dimethylmorpholin-4-yl)-N-(3,4-dimethylphenyl)propanamide
CID 86980480
1-[(2S)-1-(3-chloro-2-methylanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 9443547
(2R)-N-(3-chloro-2-methylphenyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propanamide
CID 9430806
2-(4-benzoylpiperazin-1-yl)-N-(3-chloro-2-methylphenyl)propanamide
CID 18094234
N-(2,3-dichlorophenyl)-2-morpholin-4-ylpropanamide
CID 51167813
(2S)-N-(3-chloro-2-methylphenyl)-2-[4-(furan-2-ylmethyl)piperazin-1-yl]propanamide
CID 30740476
(2S)-N-(3-chloro-2-methylphenyl)-2-[(3R)-3-(1,3-dioxolan-2-yl)piperidin-1-yl]propanamide
CID 100855978
N-(3-chloro-2-methylphenyl)-2-methylpropanamide
CID 2057455

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-2-(2,2-dimethylmorpholin-4-yl)propanamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-2-(2,2-dimethylmorpholin-4-yl)propanamide (CID 86984159) is N-(3-chloro-2-methylphenyl)-2-(2,2-dimethylmorpholin-4-yl)propanamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-2-(2,2-dimethylmorpholin-4-yl)propanamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-2-(2,2-dimethylmorpholin-4-yl)propanamide is Cc1c(Cl)cccc1NC(=O)C(C)N1CCOC(C)(C)C1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-2-(2,2-dimethylmorpholin-4-yl)propanamide?
The InChIKey is ZHKDHFAXWDUNKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O2/c1-11-13(17)6-5-7-14(11)18-15(20)12(2)19-8-9-21-16(3,4)10-19/h5-7,12H,8-10H2,1-4H3,(H,18,20).
What are the key properties of N-(3-chloro-2-methylphenyl)-2-(2,2-dimethylmorpholin-4-yl)propanamide?
N-(3-chloro-2-methylphenyl)-2-(2,2-dimethylmorpholin-4-yl)propanamide has a molecular weight of 310.83 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-2-(2,2-dimethylmorpholin-4-yl)propanamide is sourced from PubChem (CID 86984159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).