N-(3-chloro-4-morpholin-4-ylphenyl)-1-(4-chlorophenyl)cyclopropane-1-carboxamide

C20H20Cl2N2O2 — CID 3863811

IUPACN-(3-chloro-4-morpholin-4-ylphenyl)-1-(4-chlorophenyl)cyclopropane-1-carboxamide
SMILESO=C(Nc1ccc(N2CCOCC2)c(Cl)c1)C1(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H20Cl2N2O2/c21-15-3-1-14(2-4-15)20(7-8-20)19(25)23-16-5-6-18(17(22)13-16)24-9-11-26-12-10-24/h1-6,13H,7-12H2,(H,23,25)
InChIKeyYOZIEQBYXWKXLU-UHFFFAOYSA-N
MW391.30 g/mol
LogP4.50
Rot. Bonds4

About N-(3-chloro-4-morpholin-4-ylphenyl)-1-(4-chlorophenyl)cyclopropane-1-carboxamide

N-(3-chloro-4-morpholin-4-ylphenyl)-1-(4-chlorophenyl)cyclopropane-1-carboxamide (PubChem CID 3863811) has the molecular formula C20H20Cl2N2O2 and a molecular weight of 391.30 g/mol. Its IUPAC name is N-(3-chloro-4-morpholin-4-ylphenyl)-1-(4-chlorophenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-morpholin-4-ylphenyl)-1-(4-chlorophenyl)cyclopropane-1-carboxamide
PubChem CID3863811
Molecular FormulaC20H20Cl2N2O2
Molecular Weight391.30 g/mol
Exact Mass390.09
IUPAC NameN-(3-chloro-4-morpholin-4-ylphenyl)-1-(4-chlorophenyl)cyclopropane-1-carboxamide
SMILESO=C(Nc1ccc(N2CCOCC2)c(Cl)c1)C1(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H20Cl2N2O2/c21-15-3-1-14(2-4-15)20(7-8-20)19(25)23-16-5-6-18(17(22)13-16)24-9-11-26-12-10-24/h1-6,13H,7-12H2,(H,23,25)
InChIKeyYOZIEQBYXWKXLU-UHFFFAOYSA-N
XLogP4.50
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.30
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-(4-chlorophenyl)-N-(3-morpholin-4-ylsulfonylphenyl)cyclopentane-1-carboxamide
CID 17477829
2,4-dichloro-N-[(3-chloro-4-morpholin-4-ylphenyl)carbamothioyl]benzamide
CID 1343028
1-(4-chlorophenyl)-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]cyclopentane-1-carboxamide
CID 122355071
N-(3-chloro-4-morpholin-4-ylphenyl)-3-methylbutanamide
CID 960696
N-(3-chloro-4-morpholin-4-ylphenyl)-2-(2-hydroxyethylsulfanyl)acetamide
CID 2981140
N-(3-chloro-4-morpholin-4-ylphenyl)-2-(2,3,4,5,6-pentafluorophenyl)acetamide
CID 4677515
N-(3-chloro-4-methylphenyl)-4-(4-methoxyphenyl)oxane-4-carboxamide
CID 1289148
1-(4-aminophenyl)-N-(4-chlorophenyl)cyclopropane-1-carboxamide
CID 99706799
N-[3-chloro-4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]-1-(4-methylphenyl)cyclopentane-1-carboxamide
CID 25239454
5-bromo-2-chloro-N-(3-chloro-4-morpholin-4-ylphenyl)benzamide
CID 3540597
1-(4-chlorophenyl)-N-[4-(2-morpholin-4-ylethoxy)phenyl]cyclopentane-1-carboxamide
CID 100665527
1-(3-fluoro-4-morpholin-4-ylphenyl)cyclopropane-1-carboxylic acid
CID 117416870

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-morpholin-4-ylphenyl)-1-(4-chlorophenyl)cyclopropane-1-carboxamide?
The IUPAC name of N-(3-chloro-4-morpholin-4-ylphenyl)-1-(4-chlorophenyl)cyclopropane-1-carboxamide (CID 3863811) is N-(3-chloro-4-morpholin-4-ylphenyl)-1-(4-chlorophenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-(3-chloro-4-morpholin-4-ylphenyl)-1-(4-chlorophenyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-(3-chloro-4-morpholin-4-ylphenyl)-1-(4-chlorophenyl)cyclopropane-1-carboxamide is O=C(Nc1ccc(N2CCOCC2)c(Cl)c1)C1(c2ccc(Cl)cc2)CC1.
What is the InChIKey of N-(3-chloro-4-morpholin-4-ylphenyl)-1-(4-chlorophenyl)cyclopropane-1-carboxamide?
The InChIKey is YOZIEQBYXWKXLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Cl2N2O2/c21-15-3-1-14(2-4-15)20(7-8-20)19(25)23-16-5-6-18(17(22)13-16)24-9-11-26-12-10-24/h1-6,13H,7-12H2,(H,23,25).
What are the key properties of N-(3-chloro-4-morpholin-4-ylphenyl)-1-(4-chlorophenyl)cyclopropane-1-carboxamide?
N-(3-chloro-4-morpholin-4-ylphenyl)-1-(4-chlorophenyl)cyclopropane-1-carboxamide has a molecular weight of 391.30 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-morpholin-4-ylphenyl)-1-(4-chlorophenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 3863811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).