2,2-dichloro-N-[2-methoxy-5-(morpholine-4-carbonyl)phenyl]-1-methylcyclopropane-1-carboxamide

C17H20Cl2N2O4 — CID 91641888

IUPAC2,2-dichloro-N-[2-methoxy-5-(morpholine-4-carbonyl)phenyl]-1-methylcyclopropane-1-carboxamide
SMILESCOc1ccc(C(=O)N2CCOCC2)cc1NC(=O)C1(C)CC1(Cl)Cl
InChIInChI=1S/C17H20Cl2N2O4/c1-16(10-17(16,18)19)15(23)20-12-9-11(3-4-13(12)24-2)14(22)21-5-7-25-8-6-21/h3-4,9H,5-8,10H2,1-2H3,(H,20,23)
InChIKeyAANOQNYJWGJELJ-UHFFFAOYSA-N
MW387.26 g/mol
LogP2.69
Rot. Bonds4

About 2,2-dichloro-N-[2-methoxy-5-(morpholine-4-carbonyl)phenyl]-1-methylcyclopropane-1-carboxamide

2,2-dichloro-N-[2-methoxy-5-(morpholine-4-carbonyl)phenyl]-1-methylcyclopropane-1-carboxamide (PubChem CID 91641888) has the molecular formula C17H20Cl2N2O4 and a molecular weight of 387.26 g/mol. Its IUPAC name is 2,2-dichloro-N-[2-methoxy-5-(morpholine-4-carbonyl)phenyl]-1-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2-dichloro-N-[2-methoxy-5-(morpholine-4-carbonyl)phenyl]-1-methylcyclopropane-1-carboxamide
PubChem CID91641888
Molecular FormulaC17H20Cl2N2O4
Molecular Weight387.26 g/mol
Exact Mass386.08
IUPAC Name2,2-dichloro-N-[2-methoxy-5-(morpholine-4-carbonyl)phenyl]-1-methylcyclopropane-1-carboxamide
SMILESCOc1ccc(C(=O)N2CCOCC2)cc1NC(=O)C1(C)CC1(Cl)Cl
InChIInChI=1S/C17H20Cl2N2O4/c1-16(10-17(16,18)19)15(23)20-12-9-11(3-4-13(12)24-2)14(22)21-5-7-25-8-6-21/h3-4,9H,5-8,10H2,1-2H3,(H,20,23)
InChIKeyAANOQNYJWGJELJ-UHFFFAOYSA-N
XLogP2.69
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.26
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[[(1S)-2,2-dichloro-1-methylcyclopropanecarbonyl]amino]-4-methoxybenzamide
CID 94005114
N-[2-methoxy-5-(morpholine-4-carbonyl)phenyl]propanamide
CID 50875914
2-(4-aminophenyl)-N-[2-methoxy-5-(morpholine-4-carbonyl)phenyl]acetamide
CID 119755689
N-[2-methoxy-5-(morpholine-4-carbonyl)phenyl]-2-methylbenzamide
CID 50875897
(3,4-dimethoxyphenyl)-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)methanone
CID 4600615
3-amino-N-[2-methoxy-5-(morpholine-4-carbonyl)phenyl]-3-phenylpropanamide
CID 119950750
[4-methoxy-3-(2-thiophen-2-ylethylamino)phenyl]-morpholin-4-ylmethanone
CID 75448638
N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]acetamide
CID 95178992
N-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]azocane-1-carboxamide
CID 71935966
N-(4-chloro-2-methoxy-5-methylphenyl)-4-(morpholine-4-carbonyl)benzamide
CID 109045550
[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-morpholin-4-ylmethanone
CID 43001761
[4-methoxy-3-[2-[4-(trifluoromethoxy)phenyl]ethylamino]phenyl]-morpholin-4-ylmethanone
CID 75447304

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-N-[2-methoxy-5-(morpholine-4-carbonyl)phenyl]-1-methylcyclopropane-1-carboxamide?
The IUPAC name of 2,2-dichloro-N-[2-methoxy-5-(morpholine-4-carbonyl)phenyl]-1-methylcyclopropane-1-carboxamide (CID 91641888) is 2,2-dichloro-N-[2-methoxy-5-(morpholine-4-carbonyl)phenyl]-1-methylcyclopropane-1-carboxamide.
What is the SMILES notation for 2,2-dichloro-N-[2-methoxy-5-(morpholine-4-carbonyl)phenyl]-1-methylcyclopropane-1-carboxamide?
The canonical SMILES for 2,2-dichloro-N-[2-methoxy-5-(morpholine-4-carbonyl)phenyl]-1-methylcyclopropane-1-carboxamide is COc1ccc(C(=O)N2CCOCC2)cc1NC(=O)C1(C)CC1(Cl)Cl.
What is the InChIKey of 2,2-dichloro-N-[2-methoxy-5-(morpholine-4-carbonyl)phenyl]-1-methylcyclopropane-1-carboxamide?
The InChIKey is AANOQNYJWGJELJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20Cl2N2O4/c1-16(10-17(16,18)19)15(23)20-12-9-11(3-4-13(12)24-2)14(22)21-5-7-25-8-6-21/h3-4,9H,5-8,10H2,1-2H3,(H,20,23).
What are the key properties of 2,2-dichloro-N-[2-methoxy-5-(morpholine-4-carbonyl)phenyl]-1-methylcyclopropane-1-carboxamide?
2,2-dichloro-N-[2-methoxy-5-(morpholine-4-carbonyl)phenyl]-1-methylcyclopropane-1-carboxamide has a molecular weight of 387.26 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-N-[2-methoxy-5-(morpholine-4-carbonyl)phenyl]-1-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 91641888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).