4-chloro-2-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]benzamide

C15H20ClN3O — CID 106600096

IUPAC4-chloro-2-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]benzamide
SMILESNC(=O)c1ccc(Cl)cc1N(CC1CCCN1)C1CC1
InChIInChI=1S/C15H20ClN3O/c16-10-3-6-13(15(17)20)14(8-10)19(12-4-5-12)9-11-2-1-7-18-11/h3,6,8,11-12,18H,1-2,4-5,7,9H2,(H2,17,20)
InChIKeyCAYMZZMEODPNJL-UHFFFAOYSA-N
MW293.80 g/mol
LogP2.16
Rot. Bonds5

About 4-chloro-2-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]benzamide

4-chloro-2-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]benzamide (PubChem CID 106600096) has the molecular formula C15H20ClN3O and a molecular weight of 293.80 g/mol. Its IUPAC name is 4-chloro-2-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]benzamide.

Molecular Properties

Compound Name4-chloro-2-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]benzamide
PubChem CID106600096
Molecular FormulaC15H20ClN3O
Molecular Weight293.80 g/mol
Exact Mass293.13
IUPAC Name4-chloro-2-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]benzamide
SMILESNC(=O)c1ccc(Cl)cc1N(CC1CCCN1)C1CC1
InChIInChI=1S/C15H20ClN3O/c16-10-3-6-13(15(17)20)14(8-10)19(12-4-5-12)9-11-2-1-7-18-11/h3,6,8,11-12,18H,1-2,4-5,7,9H2,(H2,17,20)
InChIKeyCAYMZZMEODPNJL-UHFFFAOYSA-N
XLogP2.16
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.80
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]benzamide
CID 106618868
4-chloro-2-[cyclopropyl(piperidin-2-ylmethyl)amino]benzonitrile
CID 106641184
4-chloro-N-cyclopropyl-2-fluoro-N-(piperidin-2-ylmethyl)benzamide
CID 106626825
4-chloro-2-[methyl(piperidin-3-ylmethyl)amino]benzamide
CID 106642701
2-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]-4-chlorobenzamide
CID 63081415
4-chloro-N-(cyclopropylmethyl)-2-hydroxy-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106608308
4-bromo-2-[cyclopropyl(piperidin-3-ylmethyl)amino]benzamide
CID 106643830
4-bromo-2-[propyl(pyrrolidin-2-ylmethyl)amino]benzamide
CID 106619754
2-chloro-4-[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]benzamide
CID 106620604
4-methyl-2-[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]benzamide
CID 106620717
4-chloro-2-[cyclopropyl(cyclopropylmethyl)amino]-N'-hydroxybenzenecarboximidamide
CID 77046069
2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]benzamide
CID 106621325

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]benzamide?
The IUPAC name of 4-chloro-2-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]benzamide (CID 106600096) is 4-chloro-2-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]benzamide.
What is the SMILES notation for 4-chloro-2-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]benzamide?
The canonical SMILES for 4-chloro-2-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]benzamide is NC(=O)c1ccc(Cl)cc1N(CC1CCCN1)C1CC1.
What is the InChIKey of 4-chloro-2-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]benzamide?
The InChIKey is CAYMZZMEODPNJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O/c16-10-3-6-13(15(17)20)14(8-10)19(12-4-5-12)9-11-2-1-7-18-11/h3,6,8,11-12,18H,1-2,4-5,7,9H2,(H2,17,20).
What are the key properties of 4-chloro-2-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]benzamide?
4-chloro-2-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]benzamide has a molecular weight of 293.80 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]benzamide is sourced from PubChem (CID 106600096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).