5-chloro-2-propan-2-yloxy-N-pyrrolidin-3-ylbenzamide

C14H19ClN2O2 — CID 119449786

IUPAC5-chloro-2-propan-2-yloxy-N-pyrrolidin-3-ylbenzamide
SMILESCC(C)Oc1ccc(Cl)cc1C(=O)NC1CCNC1
InChIInChI=1S/C14H19ClN2O2/c1-9(2)19-13-4-3-10(15)7-12(13)14(18)17-11-5-6-16-8-11/h3-4,7,9,11,16H,5-6,8H2,1-2H3,(H,17,18)
InChIKeyAGHWNAVLONKVSW-UHFFFAOYSA-N
MW282.77 g/mol
LogP2.22
Rot. Bonds4

About 5-chloro-2-propan-2-yloxy-N-pyrrolidin-3-ylbenzamide

5-chloro-2-propan-2-yloxy-N-pyrrolidin-3-ylbenzamide (PubChem CID 119449786) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is 5-chloro-2-propan-2-yloxy-N-pyrrolidin-3-ylbenzamide.

Molecular Properties

Compound Name5-chloro-2-propan-2-yloxy-N-pyrrolidin-3-ylbenzamide
PubChem CID119449786
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name5-chloro-2-propan-2-yloxy-N-pyrrolidin-3-ylbenzamide
SMILESCC(C)Oc1ccc(Cl)cc1C(=O)NC1CCNC1
InChIInChI=1S/C14H19ClN2O2/c1-9(2)19-13-4-3-10(15)7-12(13)14(18)17-11-5-6-16-8-11/h3-4,7,9,11,16H,5-6,8H2,1-2H3,(H,17,18)
InChIKeyAGHWNAVLONKVSW-UHFFFAOYSA-N
XLogP2.22
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(8-azabicyclo[3.2.1]octan-3-yl)-5-chloro-2-propan-2-yloxybenzamide;hydrochloride
CID 119455408
5-chloro-2-(difluoromethoxy)-N-piperidin-4-ylbenzamide;hydrochloride
CID 119386862
2,5-dichloro-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 79689600
5-chloro-2-hydroxy-N-pyrrolidin-3-ylbenzamide
CID 62379160
N-(azetidin-3-yl)-5-chloro-2-methoxybenzamide
CID 66186533
5-chloro-N-piperidin-3-yl-2-propoxybenzamide;hydrochloride
CID 119424718
5-chloro-2-cyclopentyloxy-N-piperidin-3-ylbenzamide;hydrochloride
CID 119428659
4-chloro-2-hydroxy-N-pyrrolidin-3-ylbenzamide
CID 62378983
4-chloro-2-methoxy-N-piperidin-3-ylbenzamide
CID 63321384
2,5-dichloro-N-piperidin-4-ylbenzamide
CID 43345741
5-chloro-2-propan-2-yloxy-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119510110
5-chloro-2-methoxy-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120556533

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-propan-2-yloxy-N-pyrrolidin-3-ylbenzamide?
The IUPAC name of 5-chloro-2-propan-2-yloxy-N-pyrrolidin-3-ylbenzamide (CID 119449786) is 5-chloro-2-propan-2-yloxy-N-pyrrolidin-3-ylbenzamide.
What is the SMILES notation for 5-chloro-2-propan-2-yloxy-N-pyrrolidin-3-ylbenzamide?
The canonical SMILES for 5-chloro-2-propan-2-yloxy-N-pyrrolidin-3-ylbenzamide is CC(C)Oc1ccc(Cl)cc1C(=O)NC1CCNC1.
What is the InChIKey of 5-chloro-2-propan-2-yloxy-N-pyrrolidin-3-ylbenzamide?
The InChIKey is AGHWNAVLONKVSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-9(2)19-13-4-3-10(15)7-12(13)14(18)17-11-5-6-16-8-11/h3-4,7,9,11,16H,5-6,8H2,1-2H3,(H,17,18).
What are the key properties of 5-chloro-2-propan-2-yloxy-N-pyrrolidin-3-ylbenzamide?
5-chloro-2-propan-2-yloxy-N-pyrrolidin-3-ylbenzamide has a molecular weight of 282.77 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-propan-2-yloxy-N-pyrrolidin-3-ylbenzamide is sourced from PubChem (CID 119449786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).