4-chloro-N-[4-[1-(3-methoxypropylcarbamoyl)cyclopropyl]phenyl]benzamide

C21H23ClN2O3 — CID 50821650

IUPAC4-chloro-N-[4-[1-(3-methoxypropylcarbamoyl)cyclopropyl]phenyl]benzamide
SMILESCOCCCNC(=O)C1(c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)CC1
InChIInChI=1S/C21H23ClN2O3/c1-27-14-2-13-23-20(26)21(11-12-21)16-5-9-18(10-6-16)24-19(25)15-3-7-17(22)8-4-15/h3-10H,2,11-14H2,1H3,(H,23,26)(H,24,25)
InChIKeyPKQQRSJLNBSRFW-UHFFFAOYSA-N
MW386.88 g/mol
LogP3.78
Rot. Bonds8

About 4-chloro-N-[4-[1-(3-methoxypropylcarbamoyl)cyclopropyl]phenyl]benzamide

4-chloro-N-[4-[1-(3-methoxypropylcarbamoyl)cyclopropyl]phenyl]benzamide (PubChem CID 50821650) has the molecular formula C21H23ClN2O3 and a molecular weight of 386.88 g/mol. Its IUPAC name is 4-chloro-N-[4-[1-(3-methoxypropylcarbamoyl)cyclopropyl]phenyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[4-[1-(3-methoxypropylcarbamoyl)cyclopropyl]phenyl]benzamide
PubChem CID50821650
Molecular FormulaC21H23ClN2O3
Molecular Weight386.88 g/mol
Exact Mass386.14
IUPAC Name4-chloro-N-[4-[1-(3-methoxypropylcarbamoyl)cyclopropyl]phenyl]benzamide
SMILESCOCCCNC(=O)C1(c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)CC1
InChIInChI=1S/C21H23ClN2O3/c1-27-14-2-13-23-20(26)21(11-12-21)16-5-9-18(10-6-16)24-19(25)15-3-7-17(22)8-4-15/h3-10H,2,11-14H2,1H3,(H,23,26)(H,24,25)
InChIKeyPKQQRSJLNBSRFW-UHFFFAOYSA-N
XLogP3.78
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.88
LogP ≤ 53.78
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

4-chloro-N-[4-[1-(2-methoxyethylcarbamoyl)cyclobutyl]phenyl]benzamide
CID 46384111
N-[4-[1-(butylcarbamoyl)cyclopropyl]phenyl]-4-chlorobenzamide;2,2,2-trifluoroacetic acid
CID 146062423
4-N-(4-chlorophenyl)-1-N-(3-methoxypropyl)benzene-1,4-dicarboxamide
CID 109045341
4-chloro-N-[4-[1-(2-phenylethylcarbamoyl)cyclopropyl]phenyl]benzamide
CID 50821648
1-(4-acetamidophenyl)-N-(2-methoxyethyl)cyclopropane-1-carboxamide
CID 50821434
1-(4-methoxyphenyl)-N-(3-methoxypropyl)cyclopropane-1-carboxamide
CID 110485708
N-[2-[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]ethyl]-4-methoxybenzamide
CID 55878815
4-chloro-N-[4-[1-(propan-2-ylcarbamoyl)cyclopropyl]phenyl]benzamide
CID 50821647
N-[4-[1-(propylcarbamoyl)cyclopropyl]phenyl]benzamide
CID 50821604
methyl 2-[[4-[[1-(4-chlorophenyl)cyclobutanecarbonyl]amino]benzoyl]amino]acetate
CID 60606151
1-[4-(methanesulfonamido)phenyl]-N-(3-methoxypropyl)cyclobutane-1-carboxamide
CID 50827021
1-[4-(cyclopropanecarbonylamino)phenyl]-N-(2-methoxyethyl)cyclopropane-1-carboxamide
CID 50821436

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-[1-(3-methoxypropylcarbamoyl)cyclopropyl]phenyl]benzamide?
The IUPAC name of 4-chloro-N-[4-[1-(3-methoxypropylcarbamoyl)cyclopropyl]phenyl]benzamide (CID 50821650) is 4-chloro-N-[4-[1-(3-methoxypropylcarbamoyl)cyclopropyl]phenyl]benzamide.
What is the SMILES notation for 4-chloro-N-[4-[1-(3-methoxypropylcarbamoyl)cyclopropyl]phenyl]benzamide?
The canonical SMILES for 4-chloro-N-[4-[1-(3-methoxypropylcarbamoyl)cyclopropyl]phenyl]benzamide is COCCCNC(=O)C1(c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)CC1.
What is the InChIKey of 4-chloro-N-[4-[1-(3-methoxypropylcarbamoyl)cyclopropyl]phenyl]benzamide?
The InChIKey is PKQQRSJLNBSRFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O3/c1-27-14-2-13-23-20(26)21(11-12-21)16-5-9-18(10-6-16)24-19(25)15-3-7-17(22)8-4-15/h3-10H,2,11-14H2,1H3,(H,23,26)(H,24,25).
What are the key properties of 4-chloro-N-[4-[1-(3-methoxypropylcarbamoyl)cyclopropyl]phenyl]benzamide?
4-chloro-N-[4-[1-(3-methoxypropylcarbamoyl)cyclopropyl]phenyl]benzamide has a molecular weight of 386.88 g/mol, XLogP of 3.78, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-[1-(3-methoxypropylcarbamoyl)cyclopropyl]phenyl]benzamide is sourced from PubChem (CID 50821650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).