5-chloro-2-(pyrrolidin-3-ylmethylamino)benzamide

C12H16ClN3O — CID 80564049

IUPAC5-chloro-2-(pyrrolidin-3-ylmethylamino)benzamide
SMILESNC(=O)c1cc(Cl)ccc1NCC1CCNC1
InChIInChI=1S/C12H16ClN3O/c13-9-1-2-11(10(5-9)12(14)17)16-7-8-3-4-15-6-8/h1-2,5,8,15-16H,3-4,6-7H2,(H2,14,17)
InChIKeyXLQPEKYYEALHPM-UHFFFAOYSA-N
MW253.73 g/mol
LogP1.46
Rot. Bonds4

About 5-chloro-2-(pyrrolidin-3-ylmethylamino)benzamide

5-chloro-2-(pyrrolidin-3-ylmethylamino)benzamide (PubChem CID 80564049) has the molecular formula C12H16ClN3O and a molecular weight of 253.73 g/mol. Its IUPAC name is 5-chloro-2-(pyrrolidin-3-ylmethylamino)benzamide.

Molecular Properties

Compound Name5-chloro-2-(pyrrolidin-3-ylmethylamino)benzamide
PubChem CID80564049
Molecular FormulaC12H16ClN3O
Molecular Weight253.73 g/mol
Exact Mass253.10
IUPAC Name5-chloro-2-(pyrrolidin-3-ylmethylamino)benzamide
SMILESNC(=O)c1cc(Cl)ccc1NCC1CCNC1
InChIInChI=1S/C12H16ClN3O/c13-9-1-2-11(10(5-9)12(14)17)16-7-8-3-4-15-6-8/h1-2,5,8,15-16H,3-4,6-7H2,(H2,14,17)
InChIKeyXLQPEKYYEALHPM-UHFFFAOYSA-N
XLogP1.46
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 63623817
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5-chloro-2-(2-pyrrolidin-3-ylethoxy)benzamide
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5-chloro-2-(3-piperidin-4-yloxypropylamino)benzamide
CID 63870017
5-chloro-2-[(2-oxo-2-piperazin-1-ylethyl)amino]benzamide
CID 62495215
5-chloro-2-(piperidin-4-ylmethoxy)benzamide
CID 62493382
4-chloro-2-methyl-N-(piperidin-4-ylmethyl)aniline
CID 79018794
6-(pyrrolidin-3-ylmethylamino)pyridine-3-carboxamide
CID 78990640
[5-chloro-2-(cyclopropylmethylamino)phenyl]-phenylmethanone
CID 526490
5-chloro-2-(2,3-dihydro-1H-isoindol-5-ylmethylamino)benzamide
CID 105358002
3-(2-carbamoyl-4-chloroanilino)propanoic acid
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2-chloro-4-methoxy-N-(pyrrolidin-3-ylmethyl)aniline
CID 115208589

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(pyrrolidin-3-ylmethylamino)benzamide?
The IUPAC name of 5-chloro-2-(pyrrolidin-3-ylmethylamino)benzamide (CID 80564049) is 5-chloro-2-(pyrrolidin-3-ylmethylamino)benzamide.
What is the SMILES notation for 5-chloro-2-(pyrrolidin-3-ylmethylamino)benzamide?
The canonical SMILES for 5-chloro-2-(pyrrolidin-3-ylmethylamino)benzamide is NC(=O)c1cc(Cl)ccc1NCC1CCNC1.
What is the InChIKey of 5-chloro-2-(pyrrolidin-3-ylmethylamino)benzamide?
The InChIKey is XLQPEKYYEALHPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O/c13-9-1-2-11(10(5-9)12(14)17)16-7-8-3-4-15-6-8/h1-2,5,8,15-16H,3-4,6-7H2,(H2,14,17).
What are the key properties of 5-chloro-2-(pyrrolidin-3-ylmethylamino)benzamide?
5-chloro-2-(pyrrolidin-3-ylmethylamino)benzamide has a molecular weight of 253.73 g/mol, XLogP of 1.46, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(pyrrolidin-3-ylmethylamino)benzamide is sourced from PubChem (CID 80564049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).