N-[2-[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]ethyl]-4-methoxybenzamide

C20H21ClN2O3 — CID 55878815

IUPACN-[2-[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]ethyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCCNC(=O)C2(c3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C20H21ClN2O3/c1-26-17-8-2-14(3-9-17)18(24)22-12-13-23-19(25)20(10-11-20)15-4-6-16(21)7-5-15/h2-9H,10-13H2,1H3,(H,22,24)(H,23,25)
InChIKeyMNOMUSPSOBFXOZ-UHFFFAOYSA-N
MW372.85 g/mol
LogP2.93
Rot. Bonds7

About N-[2-[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]ethyl]-4-methoxybenzamide

N-[2-[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]ethyl]-4-methoxybenzamide (PubChem CID 55878815) has the molecular formula C20H21ClN2O3 and a molecular weight of 372.85 g/mol. Its IUPAC name is N-[2-[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]ethyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[2-[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]ethyl]-4-methoxybenzamide
PubChem CID55878815
Molecular FormulaC20H21ClN2O3
Molecular Weight372.85 g/mol
Exact Mass372.12
IUPAC NameN-[2-[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]ethyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCCNC(=O)C2(c3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C20H21ClN2O3/c1-26-17-8-2-14(3-9-17)18(24)22-12-13-23-19(25)20(10-11-20)15-4-6-16(21)7-5-15/h2-9H,10-13H2,1H3,(H,22,24)(H,23,25)
InChIKeyMNOMUSPSOBFXOZ-UHFFFAOYSA-N
XLogP2.93
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.85
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-methoxyphenyl)-N-(3-methoxypropyl)cyclopropane-1-carboxamide
CID 110485708
4-chloro-N-[4-[1-(3-methoxypropylcarbamoyl)cyclopropyl]phenyl]benzamide
CID 50821650
4-chloro-N-[4-[1-(2-methoxyethylcarbamoyl)cyclobutyl]phenyl]benzamide
CID 46384111
4-chloro-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzamide
CID 40617546
N-(2-aminoethyl)-1-(4-chlorophenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119382939
1-(4-methoxyphenyl)-N-methylcyclopropane-1-carboxamide
CID 53016794
N-[(2-fluorophenyl)methyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 113198405
1-(4-methoxyphenyl)-N'-methylcyclopropane-1-carbohydrazide
CID 116847276
N-[2-[(4-methoxybenzoyl)amino]ethyl]-4-methylbenzamide
CID 108537787
N-(2-acetamidoethyl)-4-methoxybenzamide
CID 30596623
N-ethyl-1-(4-methoxyphenyl)cyclopentane-1-carboxamide
CID 110487274
N-[(4-methoxyphenyl)methyl]-1-(4-methylphenyl)cyclopropane-1-carboxamide
CID 113198206

Frequently Asked Questions

What is the IUPAC name of N-[2-[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]ethyl]-4-methoxybenzamide?
The IUPAC name of N-[2-[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]ethyl]-4-methoxybenzamide (CID 55878815) is N-[2-[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]ethyl]-4-methoxybenzamide.
What is the SMILES notation for N-[2-[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]ethyl]-4-methoxybenzamide?
The canonical SMILES for N-[2-[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]ethyl]-4-methoxybenzamide is COc1ccc(C(=O)NCCNC(=O)C2(c3ccc(Cl)cc3)CC2)cc1.
What is the InChIKey of N-[2-[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]ethyl]-4-methoxybenzamide?
The InChIKey is MNOMUSPSOBFXOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O3/c1-26-17-8-2-14(3-9-17)18(24)22-12-13-23-19(25)20(10-11-20)15-4-6-16(21)7-5-15/h2-9H,10-13H2,1H3,(H,22,24)(H,23,25).
What are the key properties of N-[2-[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]ethyl]-4-methoxybenzamide?
N-[2-[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]ethyl]-4-methoxybenzamide has a molecular weight of 372.85 g/mol, XLogP of 2.93, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]ethyl]-4-methoxybenzamide is sourced from PubChem (CID 55878815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).