2-chloro-6-(cyclopropylmethoxy)-N-(3-pyridin-3-ylpropyl)benzamide

C19H21ClN2O2 — CID 166280135

IUPAC2-chloro-6-(cyclopropylmethoxy)-N-(3-pyridin-3-ylpropyl)benzamide
SMILESO=C(NCCCc1cccnc1)c1c(Cl)cccc1OCC1CC1
InChIInChI=1S/C19H21ClN2O2/c20-16-6-1-7-17(24-13-15-8-9-15)18(16)19(23)22-11-3-5-14-4-2-10-21-12-14/h1-2,4,6-7,10,12,15H,3,5,8-9,11,13H2,(H,22,23)
InChIKeyUJESBNQVQQKZTB-UHFFFAOYSA-N
MW344.84 g/mol
LogP3.89
Rot. Bonds8

About 2-chloro-6-(cyclopropylmethoxy)-N-(3-pyridin-3-ylpropyl)benzamide

2-chloro-6-(cyclopropylmethoxy)-N-(3-pyridin-3-ylpropyl)benzamide (PubChem CID 166280135) has the molecular formula C19H21ClN2O2 and a molecular weight of 344.84 g/mol. Its IUPAC name is 2-chloro-6-(cyclopropylmethoxy)-N-(3-pyridin-3-ylpropyl)benzamide.

Molecular Properties

Compound Name2-chloro-6-(cyclopropylmethoxy)-N-(3-pyridin-3-ylpropyl)benzamide
PubChem CID166280135
Molecular FormulaC19H21ClN2O2
Molecular Weight344.84 g/mol
Exact Mass344.13
IUPAC Name2-chloro-6-(cyclopropylmethoxy)-N-(3-pyridin-3-ylpropyl)benzamide
SMILESO=C(NCCCc1cccnc1)c1c(Cl)cccc1OCC1CC1
InChIInChI=1S/C19H21ClN2O2/c20-16-6-1-7-17(24-13-15-8-9-15)18(16)19(23)22-11-3-5-14-4-2-10-21-12-14/h1-2,4,6-7,10,12,15H,3,5,8-9,11,13H2,(H,22,23)
InChIKeyUJESBNQVQQKZTB-UHFFFAOYSA-N
XLogP3.89
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.84
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-6-fluoro-N-(3-pyridin-3-ylpropyl)benzamide
CID 110400269
2-amino-6-chloro-N-(2-pyridin-3-ylethyl)benzamide
CID 55244513
2-chloro-6-(cyclopropylmethoxy)benzenecarbothioamide
CID 62495370
N-(4-pyridin-3-ylbutyl)pyridine-3-carboxamide
CID 110661295
1-propyl-3-(3-pyridin-3-ylpropyl)urea
CID 110400279
4-(2-chlorophenyl)-4-oxo-N-(3-pyridin-3-ylpropyl)butanamide
CID 110607164
N-[2-(2,6-dichlorophenoxy)ethyl]-2-pyridin-3-ylacetamide
CID 19871620
1-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-3-(pyridin-3-ylmethyl)urea
CID 60610661
2-chloro-6-(cyclopropylmethoxy)-N-(4-methyl-6-oxo-1H-pyridin-2-yl)benzamide
CID 154785592
2-chloro-6-(cyclopropylmethoxy)-N-[(3S)-1-methyl-2,5-dioxopyrrolidin-3-yl]benzamide
CID 164638215
methyl N-(4-pyridin-3-ylbutyl)carbamate
CID 110661300
2-fluoro-6-hydroxy-N-(2-pyridin-3-ylethyl)benzamide
CID 104916776

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(cyclopropylmethoxy)-N-(3-pyridin-3-ylpropyl)benzamide?
The IUPAC name of 2-chloro-6-(cyclopropylmethoxy)-N-(3-pyridin-3-ylpropyl)benzamide (CID 166280135) is 2-chloro-6-(cyclopropylmethoxy)-N-(3-pyridin-3-ylpropyl)benzamide.
What is the SMILES notation for 2-chloro-6-(cyclopropylmethoxy)-N-(3-pyridin-3-ylpropyl)benzamide?
The canonical SMILES for 2-chloro-6-(cyclopropylmethoxy)-N-(3-pyridin-3-ylpropyl)benzamide is O=C(NCCCc1cccnc1)c1c(Cl)cccc1OCC1CC1.
What is the InChIKey of 2-chloro-6-(cyclopropylmethoxy)-N-(3-pyridin-3-ylpropyl)benzamide?
The InChIKey is UJESBNQVQQKZTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O2/c20-16-6-1-7-17(24-13-15-8-9-15)18(16)19(23)22-11-3-5-14-4-2-10-21-12-14/h1-2,4,6-7,10,12,15H,3,5,8-9,11,13H2,(H,22,23).
What are the key properties of 2-chloro-6-(cyclopropylmethoxy)-N-(3-pyridin-3-ylpropyl)benzamide?
2-chloro-6-(cyclopropylmethoxy)-N-(3-pyridin-3-ylpropyl)benzamide has a molecular weight of 344.84 g/mol, XLogP of 3.89, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(cyclopropylmethoxy)-N-(3-pyridin-3-ylpropyl)benzamide is sourced from PubChem (CID 166280135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).