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

C15H22ClN3O — CID 106618868

IUPAC4-chloro-2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]benzamide
SMILESCC(C)N(CC1CCCN1)c1cc(Cl)ccc1C(N)=O
InChIInChI=1S/C15H22ClN3O/c1-10(2)19(9-12-4-3-7-18-12)14-8-11(16)5-6-13(14)15(17)20/h5-6,8,10,12,18H,3-4,7,9H2,1-2H3,(H2,17,20)
InChIKeyKSFQUHKELANFFJ-UHFFFAOYSA-N
MW295.81 g/mol
LogP2.41
Rot. Bonds5

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

4-chloro-2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]benzamide (PubChem CID 106618868) has the molecular formula C15H22ClN3O and a molecular weight of 295.81 g/mol. Its IUPAC name is 4-chloro-2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]benzamide.

Molecular Properties

Compound Name4-chloro-2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]benzamide
PubChem CID106618868
Molecular FormulaC15H22ClN3O
Molecular Weight295.81 g/mol
Exact Mass295.15
IUPAC Name4-chloro-2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]benzamide
SMILESCC(C)N(CC1CCCN1)c1cc(Cl)ccc1C(N)=O
InChIInChI=1S/C15H22ClN3O/c1-10(2)19(9-12-4-3-7-18-12)14-8-11(16)5-6-13(14)15(17)20/h5-6,8,10,12,18H,3-4,7,9H2,1-2H3,(H2,17,20)
InChIKeyKSFQUHKELANFFJ-UHFFFAOYSA-N
XLogP2.41
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-2-[piperidin-2-ylmethyl(propan-2-yl)amino]benzamide
CID 106641422
4-chloro-2-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]benzamide
CID 106600096
4-methyl-2-[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]benzamide
CID 106620717
2-chloro-4-[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]benzamide
CID 106620604
2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]pyridine-4-carboxamide
CID 106618863
4-[piperidin-2-ylmethyl(propan-2-yl)amino]benzamide
CID 106641317
4-bromo-2-[propyl(pyrrolidin-2-ylmethyl)amino]benzamide
CID 106619754
4-chloro-2-[methyl(piperidin-3-ylmethyl)amino]benzamide
CID 106642701
6-[piperidin-2-ylmethyl(propan-2-yl)amino]pyridine-2-carboxamide
CID 106641492
5-chloro-2-methoxy-N-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106607639
4-chloro-N-(cyclopropylmethyl)-2-hydroxy-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106608308
2-(3-chlorophenyl)-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)acetamide
CID 106609550

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]benzamide?
The IUPAC name of 4-chloro-2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]benzamide (CID 106618868) is 4-chloro-2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]benzamide.
What is the SMILES notation for 4-chloro-2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]benzamide?
The canonical SMILES for 4-chloro-2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]benzamide is CC(C)N(CC1CCCN1)c1cc(Cl)ccc1C(N)=O.
What is the InChIKey of 4-chloro-2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]benzamide?
The InChIKey is KSFQUHKELANFFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O/c1-10(2)19(9-12-4-3-7-18-12)14-8-11(16)5-6-13(14)15(17)20/h5-6,8,10,12,18H,3-4,7,9H2,1-2H3,(H2,17,20).
What are the key properties of 4-chloro-2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]benzamide?
4-chloro-2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]benzamide has a molecular weight of 295.81 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]benzamide is sourced from PubChem (CID 106618868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).