N-[3-[[3-aminopropyl(cyclopropanecarbonyl)amino]methyl]phenyl]-3-chlorobenzamide

C21H24ClN3O2 — CID 23855130

IUPACN-[3-[[3-aminopropyl(cyclopropanecarbonyl)amino]methyl]phenyl]-3-chlorobenzamide
SMILESNCCCN(Cc1cccc(NC(=O)c2cccc(Cl)c2)c1)C(=O)C1CC1
InChIInChI=1S/C21H24ClN3O2/c22-18-6-2-5-17(13-18)20(26)24-19-7-1-4-15(12-19)14-25(11-3-10-23)21(27)16-8-9-16/h1-2,4-7,12-13,16H,3,8-11,14,23H2,(H,24,26)
InChIKeyGTQLIOZMFLYCMJ-UHFFFAOYSA-N
MW385.90 g/mol
LogP3.68
Rot. Bonds8

About N-[3-[[3-aminopropyl(cyclopropanecarbonyl)amino]methyl]phenyl]-3-chlorobenzamide

N-[3-[[3-aminopropyl(cyclopropanecarbonyl)amino]methyl]phenyl]-3-chlorobenzamide (PubChem CID 23855130) has the molecular formula C21H24ClN3O2 and a molecular weight of 385.90 g/mol. Its IUPAC name is N-[3-[[3-aminopropyl(cyclopropanecarbonyl)amino]methyl]phenyl]-3-chlorobenzamide.

Molecular Properties

Compound NameN-[3-[[3-aminopropyl(cyclopropanecarbonyl)amino]methyl]phenyl]-3-chlorobenzamide
PubChem CID23855130
Molecular FormulaC21H24ClN3O2
Molecular Weight385.90 g/mol
Exact Mass385.16
IUPAC NameN-[3-[[3-aminopropyl(cyclopropanecarbonyl)amino]methyl]phenyl]-3-chlorobenzamide
SMILESNCCCN(Cc1cccc(NC(=O)c2cccc(Cl)c2)c1)C(=O)C1CC1
InChIInChI=1S/C21H24ClN3O2/c22-18-6-2-5-17(13-18)20(26)24-19-7-1-4-15(12-19)14-25(11-3-10-23)21(27)16-8-9-16/h1-2,4-7,12-13,16H,3,8-11,14,23H2,(H,24,26)
InChIKeyGTQLIOZMFLYCMJ-UHFFFAOYSA-N
XLogP3.68
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.90
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-acetamidophenyl)methyl]-N-(3-aminopropyl)cyclohexanecarboxamide
CID 23850194
N-(3-aminopropyl)-N-[[3-[(2-phenoxyacetyl)amino]phenyl]methyl]cyclopropanecarboxamide
CID 23824676
N-(3-aminopropyl)-N-[[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]methyl]cyclopropanecarboxamide
CID 23931480
N-[3-[[3-aminopropyl(benzoyl)amino]methyl]phenyl]-3-fluorobenzamide
CID 23824934
N-[3-[[3-aminopropyl(benzoyl)amino]methyl]phenyl]-4-tert-butylbenzamide
CID 23798992
3-chloro-N-[3-[(3-chlorobenzoyl)amino]phenyl]benzamide
CID 1369981
N-[3-[[(2-aminocyclohexyl)-(cyclopropanecarbonyl)amino]methyl]-4-chlorophenyl]-3-chlorobenzamide
CID 23907684
N-(3-amino-2,2-dimethylpropyl)-N-[[3-[(3-chlorobenzoyl)amino]phenyl]methyl]-3,4-dimethoxybenzamide
CID 23796119
N-(3-aminopropyl)-N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-3,4-dimethoxybenzamide
CID 23763521
N-(2-aminocyclohexyl)-N-[[3-[(3-chlorobenzoyl)amino]phenyl]methyl]-3-fluorobenzamide
CID 23855461
N-(3-aminopropyl)-N-benzyloxane-4-carboxamide
CID 107366082
N-[3-[[3-aminopropyl-(4-cyanobenzoyl)amino]methyl]phenyl]pyridine-3-carboxamide
CID 23961115

Frequently Asked Questions

What is the IUPAC name of N-[3-[[3-aminopropyl(cyclopropanecarbonyl)amino]methyl]phenyl]-3-chlorobenzamide?
The IUPAC name of N-[3-[[3-aminopropyl(cyclopropanecarbonyl)amino]methyl]phenyl]-3-chlorobenzamide (CID 23855130) is N-[3-[[3-aminopropyl(cyclopropanecarbonyl)amino]methyl]phenyl]-3-chlorobenzamide.
What is the SMILES notation for N-[3-[[3-aminopropyl(cyclopropanecarbonyl)amino]methyl]phenyl]-3-chlorobenzamide?
The canonical SMILES for N-[3-[[3-aminopropyl(cyclopropanecarbonyl)amino]methyl]phenyl]-3-chlorobenzamide is NCCCN(Cc1cccc(NC(=O)c2cccc(Cl)c2)c1)C(=O)C1CC1.
What is the InChIKey of N-[3-[[3-aminopropyl(cyclopropanecarbonyl)amino]methyl]phenyl]-3-chlorobenzamide?
The InChIKey is GTQLIOZMFLYCMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O2/c22-18-6-2-5-17(13-18)20(26)24-19-7-1-4-15(12-19)14-25(11-3-10-23)21(27)16-8-9-16/h1-2,4-7,12-13,16H,3,8-11,14,23H2,(H,24,26).
What are the key properties of N-[3-[[3-aminopropyl(cyclopropanecarbonyl)amino]methyl]phenyl]-3-chlorobenzamide?
N-[3-[[3-aminopropyl(cyclopropanecarbonyl)amino]methyl]phenyl]-3-chlorobenzamide has a molecular weight of 385.90 g/mol, XLogP of 3.68, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[3-aminopropyl(cyclopropanecarbonyl)amino]methyl]phenyl]-3-chlorobenzamide is sourced from PubChem (CID 23855130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).