2-(3-chlorophenyl)-N-[(1R,2S)-2-methoxy-2-methylcyclopropyl]morpholine-4-carboxamide

C16H21ClN2O3 — CID 138032990

IUPAC2-(3-chlorophenyl)-N-[(1R,2S)-2-methoxy-2-methylcyclopropyl]morpholine-4-carboxamide
SMILESCO[C@@]1(C)C[C@H]1NC(=O)N1CCOC(c2cccc(Cl)c2)C1
InChIInChI=1S/C16H21ClN2O3/c1-16(21-2)9-14(16)18-15(20)19-6-7-22-13(10-19)11-4-3-5-12(17)8-11/h3-5,8,13-14H,6-7,9-10H2,1-2H3,(H,18,20)/t13?,14-,16+/m1/s1
InChIKeyBWJHKPKOAFGPGO-VVRWDSKXSA-N
MW324.81 g/mol
LogP2.60
Rot. Bonds3

About 2-(3-chlorophenyl)-N-[(1R,2S)-2-methoxy-2-methylcyclopropyl]morpholine-4-carboxamide

2-(3-chlorophenyl)-N-[(1R,2S)-2-methoxy-2-methylcyclopropyl]morpholine-4-carboxamide (PubChem CID 138032990) has the molecular formula C16H21ClN2O3 and a molecular weight of 324.81 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-[(1R,2S)-2-methoxy-2-methylcyclopropyl]morpholine-4-carboxamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-[(1R,2S)-2-methoxy-2-methylcyclopropyl]morpholine-4-carboxamide
PubChem CID138032990
Molecular FormulaC16H21ClN2O3
Molecular Weight324.81 g/mol
Exact Mass324.12
IUPAC Name2-(3-chlorophenyl)-N-[(1R,2S)-2-methoxy-2-methylcyclopropyl]morpholine-4-carboxamide
SMILESCO[C@@]1(C)C[C@H]1NC(=O)N1CCOC(c2cccc(Cl)c2)C1
InChIInChI=1S/C16H21ClN2O3/c1-16(21-2)9-14(16)18-15(20)19-6-7-22-13(10-19)11-4-3-5-12(17)8-11/h3-5,8,13-14H,6-7,9-10H2,1-2H3,(H,18,20)/t13?,14-,16+/m1/s1
InChIKeyBWJHKPKOAFGPGO-VVRWDSKXSA-N
XLogP2.60
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.81
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[2-(3-chlorophenyl)morpholin-4-yl]-3-oxopropyl]acetamide
CID 110355151
[2-(3-chlorophenyl)morpholin-4-yl]-[3-(methoxymethyl)phenyl]methanone
CID 122138903
2-(3-chlorophenyl)-N-(5-methoxypyrimidin-4-yl)morpholine-4-carboxamide
CID 154738776
1-[(2S)-2-(3-chlorophenyl)morpholin-4-yl]-5-methylsulfanylpentan-1-one
CID 124618590
N-(3-chlorophenyl)-2-(4-methoxyphenyl)morpholine-4-carboxamide
CID 110327203
1-[2-(3-chlorophenyl)morpholin-4-yl]-2-(4-fluorophenyl)ethanone
CID 110326972
methyl 2-[4-[2-[2-(3-chlorophenyl)morpholin-4-yl]ethyl]phenyl]acetate;hydrochloride
CID 70381407
1-(2-chlorophenyl)-4-[2-(3-chlorophenyl)morpholin-4-yl]butane-1,4-dione
CID 110416762
1-[(2R)-2-(3-chlorophenyl)morpholin-4-yl]-2-(1H-pyrazol-5-yl)ethanone
CID 124618430
1-[2-(3-chlorophenyl)morpholin-4-yl]-3-(furan-2-yl)propan-1-one
CID 110356623
2-(3-chlorophenyl)-N-cyclopropyl-5,5-dimethylmorpholine-4-carboxamide
CID 110356676
[1-(3-chlorophenyl)cyclopropyl]-[2-(3-hydroxyphenyl)morpholin-4-yl]methanone
CID 126783216

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-[(1R,2S)-2-methoxy-2-methylcyclopropyl]morpholine-4-carboxamide?
The IUPAC name of 2-(3-chlorophenyl)-N-[(1R,2S)-2-methoxy-2-methylcyclopropyl]morpholine-4-carboxamide (CID 138032990) is 2-(3-chlorophenyl)-N-[(1R,2S)-2-methoxy-2-methylcyclopropyl]morpholine-4-carboxamide.
What is the SMILES notation for 2-(3-chlorophenyl)-N-[(1R,2S)-2-methoxy-2-methylcyclopropyl]morpholine-4-carboxamide?
The canonical SMILES for 2-(3-chlorophenyl)-N-[(1R,2S)-2-methoxy-2-methylcyclopropyl]morpholine-4-carboxamide is CO[C@@]1(C)C[C@H]1NC(=O)N1CCOC(c2cccc(Cl)c2)C1.
What is the InChIKey of 2-(3-chlorophenyl)-N-[(1R,2S)-2-methoxy-2-methylcyclopropyl]morpholine-4-carboxamide?
The InChIKey is BWJHKPKOAFGPGO-VVRWDSKXSA-N. The full InChI is InChI=1S/C16H21ClN2O3/c1-16(21-2)9-14(16)18-15(20)19-6-7-22-13(10-19)11-4-3-5-12(17)8-11/h3-5,8,13-14H,6-7,9-10H2,1-2H3,(H,18,20)/t13?,14-,16+/m1/s1.
What are the key properties of 2-(3-chlorophenyl)-N-[(1R,2S)-2-methoxy-2-methylcyclopropyl]morpholine-4-carboxamide?
2-(3-chlorophenyl)-N-[(1R,2S)-2-methoxy-2-methylcyclopropyl]morpholine-4-carboxamide has a molecular weight of 324.81 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-[(1R,2S)-2-methoxy-2-methylcyclopropyl]morpholine-4-carboxamide is sourced from PubChem (CID 138032990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).