4-[(cyclopentanecarbonylamino)methyl]-N-(4,5-dichloro-2-pyridinyl)benzamide

C19H19Cl2N3O2 — CID 75468061

IUPAC4-[(cyclopentanecarbonylamino)methyl]-N-(4,5-dichloro-2-pyridinyl)benzamide
SMILESO=C(Nc1cc(Cl)c(Cl)cn1)c1ccc(CNC(=O)C2CCCC2)cc1
InChIInChI=1S/C19H19Cl2N3O2/c20-15-9-17(22-11-16(15)21)24-19(26)14-7-5-12(6-8-14)10-23-18(25)13-3-1-2-4-13/h5-9,11,13H,1-4,10H2,(H,23,25)(H,22,24,26)
InChIKeyVJJZBTZWSZGWIP-UHFFFAOYSA-N
MW392.29 g/mol
LogP4.45
Rot. Bonds5

About 4-[(cyclopentanecarbonylamino)methyl]-N-(4,5-dichloro-2-pyridinyl)benzamide

4-[(cyclopentanecarbonylamino)methyl]-N-(4,5-dichloro-2-pyridinyl)benzamide (PubChem CID 75468061) has the molecular formula C19H19Cl2N3O2 and a molecular weight of 392.29 g/mol. Its IUPAC name is 4-[(cyclopentanecarbonylamino)methyl]-N-(4,5-dichloro-2-pyridinyl)benzamide.

Molecular Properties

Compound Name4-[(cyclopentanecarbonylamino)methyl]-N-(4,5-dichloro-2-pyridinyl)benzamide
PubChem CID75468061
Molecular FormulaC19H19Cl2N3O2
Molecular Weight392.29 g/mol
Exact Mass391.09
IUPAC Name4-[(cyclopentanecarbonylamino)methyl]-N-(4,5-dichloro-2-pyridinyl)benzamide
SMILESO=C(Nc1cc(Cl)c(Cl)cn1)c1ccc(CNC(=O)C2CCCC2)cc1
InChIInChI=1S/C19H19Cl2N3O2/c20-15-9-17(22-11-16(15)21)24-19(26)14-7-5-12(6-8-14)10-23-18(25)13-3-1-2-4-13/h5-9,11,13H,1-4,10H2,(H,23,25)(H,22,24,26)
InChIKeyVJJZBTZWSZGWIP-UHFFFAOYSA-N
XLogP4.45
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.29
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[[4-[(cyclopentanecarbonylamino)methyl]benzoyl]amino]phenyl]acetic acid
CID 119218278
N-[2-[(4-chlorophenyl)methylcarbamoylamino]ethyl]-4-(cyclopentanecarbonylamino)benzamide
CID 121063337
N-(2-aminoethyl)-4-[(cyclopentanecarbonylamino)methyl]benzamide;hydrochloride
CID 119384153
N-[(4-carbamothioylphenyl)methyl]cyclooctanecarboxamide
CID 65018764
4-[[4-[(cyclopentanecarbonylamino)methyl]benzoyl]amino]cyclohexane-1-carboxylic acid
CID 119229257
N-benzylcyclopentanecarboxamide
CID 835634
3-[[4-[(cyclopentanecarbonylamino)methyl]benzoyl]amino]-2-methylpropanoic acid
CID 119236774
N-[[4-(piperidine-1-carbonyl)phenyl]methyl]cyclopentanecarboxamide
CID 18119554
4-[(cyclopentanecarbonylamino)methyl]-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119452392
N-[(4-chlorophenyl)methyl]-1-[(3,4-dichlorophenyl)methyl]piperidine-4-carboxamide
CID 43920957
N-[(4-chlorophenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 74889868
N-[[4-(hydroxymethyl)phenyl]methyl]cyclobutanecarboxamide
CID 107231476

Frequently Asked Questions

What is the IUPAC name of 4-[(cyclopentanecarbonylamino)methyl]-N-(4,5-dichloro-2-pyridinyl)benzamide?
The IUPAC name of 4-[(cyclopentanecarbonylamino)methyl]-N-(4,5-dichloro-2-pyridinyl)benzamide (CID 75468061) is 4-[(cyclopentanecarbonylamino)methyl]-N-(4,5-dichloro-2-pyridinyl)benzamide.
What is the SMILES notation for 4-[(cyclopentanecarbonylamino)methyl]-N-(4,5-dichloro-2-pyridinyl)benzamide?
The canonical SMILES for 4-[(cyclopentanecarbonylamino)methyl]-N-(4,5-dichloro-2-pyridinyl)benzamide is O=C(Nc1cc(Cl)c(Cl)cn1)c1ccc(CNC(=O)C2CCCC2)cc1.
What is the InChIKey of 4-[(cyclopentanecarbonylamino)methyl]-N-(4,5-dichloro-2-pyridinyl)benzamide?
The InChIKey is VJJZBTZWSZGWIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2N3O2/c20-15-9-17(22-11-16(15)21)24-19(26)14-7-5-12(6-8-14)10-23-18(25)13-3-1-2-4-13/h5-9,11,13H,1-4,10H2,(H,23,25)(H,22,24,26).
What are the key properties of 4-[(cyclopentanecarbonylamino)methyl]-N-(4,5-dichloro-2-pyridinyl)benzamide?
4-[(cyclopentanecarbonylamino)methyl]-N-(4,5-dichloro-2-pyridinyl)benzamide has a molecular weight of 392.29 g/mol, XLogP of 4.45, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(cyclopentanecarbonylamino)methyl]-N-(4,5-dichloro-2-pyridinyl)benzamide is sourced from PubChem (CID 75468061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).