2-chloro-N-(cyclobutylmethyl)-N-[(3S)-pyrrolidin-3-yl]benzamide

C16H21ClN2O — CID 45269318

IUPAC2-chloro-N-(cyclobutylmethyl)-N-[(3S)-pyrrolidin-3-yl]benzamide
SMILESO=C(c1ccccc1Cl)N(CC1CCC1)[C@H]1CCNC1
InChIInChI=1S/C16H21ClN2O/c17-15-7-2-1-6-14(15)16(20)19(11-12-4-3-5-12)13-8-9-18-10-13/h1-2,6-7,12-13,18H,3-5,8-11H2/t13-/m0/s1
InChIKeyVQXNEYZVHJNUFJ-ZDUSSCGKSA-N
MW292.81 g/mol
LogP2.94
Rot. Bonds4

About 2-chloro-N-(cyclobutylmethyl)-N-[(3S)-pyrrolidin-3-yl]benzamide

2-chloro-N-(cyclobutylmethyl)-N-[(3S)-pyrrolidin-3-yl]benzamide (PubChem CID 45269318) has the molecular formula C16H21ClN2O and a molecular weight of 292.81 g/mol. Its IUPAC name is 2-chloro-N-(cyclobutylmethyl)-N-[(3S)-pyrrolidin-3-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-(cyclobutylmethyl)-N-[(3S)-pyrrolidin-3-yl]benzamide
PubChem CID45269318
Molecular FormulaC16H21ClN2O
Molecular Weight292.81 g/mol
Exact Mass292.13
IUPAC Name2-chloro-N-(cyclobutylmethyl)-N-[(3S)-pyrrolidin-3-yl]benzamide
SMILESO=C(c1ccccc1Cl)N(CC1CCC1)[C@H]1CCNC1
InChIInChI=1S/C16H21ClN2O/c17-15-7-2-1-6-14(15)16(20)19(11-12-4-3-5-12)13-8-9-18-10-13/h1-2,6-7,12-13,18H,3-5,8-11H2/t13-/m0/s1
InChIKeyVQXNEYZVHJNUFJ-ZDUSSCGKSA-N
XLogP2.94
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.81
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(cyclobutylmethyl)-N-[(3S)-pyrrolidin-3-yl]benzamide?
The IUPAC name of 2-chloro-N-(cyclobutylmethyl)-N-[(3S)-pyrrolidin-3-yl]benzamide (CID 45269318) is 2-chloro-N-(cyclobutylmethyl)-N-[(3S)-pyrrolidin-3-yl]benzamide.
What is the SMILES notation for 2-chloro-N-(cyclobutylmethyl)-N-[(3S)-pyrrolidin-3-yl]benzamide?
The canonical SMILES for 2-chloro-N-(cyclobutylmethyl)-N-[(3S)-pyrrolidin-3-yl]benzamide is O=C(c1ccccc1Cl)N(CC1CCC1)[C@H]1CCNC1.
What is the InChIKey of 2-chloro-N-(cyclobutylmethyl)-N-[(3S)-pyrrolidin-3-yl]benzamide?
The InChIKey is VQXNEYZVHJNUFJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H21ClN2O/c17-15-7-2-1-6-14(15)16(20)19(11-12-4-3-5-12)13-8-9-18-10-13/h1-2,6-7,12-13,18H,3-5,8-11H2/t13-/m0/s1.
What are the key properties of 2-chloro-N-(cyclobutylmethyl)-N-[(3S)-pyrrolidin-3-yl]benzamide?
2-chloro-N-(cyclobutylmethyl)-N-[(3S)-pyrrolidin-3-yl]benzamide has a molecular weight of 292.81 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(cyclobutylmethyl)-N-[(3S)-pyrrolidin-3-yl]benzamide is sourced from PubChem (CID 45269318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).