4-bromo-2-chloro-N-(cyclopropylmethyl)-N-(pyrrolidin-2-ylmethyl)benzamide

C16H20BrClN2O — CID 106608555

IUPAC4-bromo-2-chloro-N-(cyclopropylmethyl)-N-(pyrrolidin-2-ylmethyl)benzamide
SMILESO=C(c1ccc(Br)cc1Cl)N(CC1CC1)CC1CCCN1
InChIInChI=1S/C16H20BrClN2O/c17-12-5-6-14(15(18)8-12)16(21)20(9-11-3-4-11)10-13-2-1-7-19-13/h5-6,8,11,13,19H,1-4,7,9-10H2
InChIKeyHQBLADOAWNVQLW-UHFFFAOYSA-N
MW371.71 g/mol
LogP3.71
Rot. Bonds5

About 4-bromo-2-chloro-N-(cyclopropylmethyl)-N-(pyrrolidin-2-ylmethyl)benzamide

4-bromo-2-chloro-N-(cyclopropylmethyl)-N-(pyrrolidin-2-ylmethyl)benzamide (PubChem CID 106608555) has the molecular formula C16H20BrClN2O and a molecular weight of 371.71 g/mol. Its IUPAC name is 4-bromo-2-chloro-N-(cyclopropylmethyl)-N-(pyrrolidin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-bromo-2-chloro-N-(cyclopropylmethyl)-N-(pyrrolidin-2-ylmethyl)benzamide
PubChem CID106608555
Molecular FormulaC16H20BrClN2O
Molecular Weight371.71 g/mol
Exact Mass370.04
IUPAC Name4-bromo-2-chloro-N-(cyclopropylmethyl)-N-(pyrrolidin-2-ylmethyl)benzamide
SMILESO=C(c1ccc(Br)cc1Cl)N(CC1CC1)CC1CCCN1
InChIInChI=1S/C16H20BrClN2O/c17-12-5-6-14(15(18)8-12)16(21)20(9-11-3-4-11)10-13-2-1-7-19-13/h5-6,8,11,13,19H,1-4,7,9-10H2
InChIKeyHQBLADOAWNVQLW-UHFFFAOYSA-N
XLogP3.71
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.71
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-(cyclopropylmethyl)-2-fluoro-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106608490
5-bromo-2-chloro-N-ethyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106609221
4-chloro-N-(cyclopropylmethyl)-2-hydroxy-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106608308
5-chloro-N-(cyclopropylmethyl)-N-(pyrrolidin-2-ylmethyl)furan-2-carboxamide
CID 106608722
2-bromo-N-(cyclopropylmethyl)-4-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106608591
3-chloro-N-(cyclopropylmethyl)-2-fluoro-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106608668
3-chloro-N-(cyclopropylmethyl)-4-iodo-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106608291
2-chloro-N-(cyclopropylmethyl)-N-(pyrrolidin-2-ylmethyl)furan-3-carboxamide
CID 106688645
5-bromo-2-chloro-N-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106607717
4-bromo-2-chloro-N-(2-pyrrolidin-2-ylethyl)benzamide
CID 114794001
N-(cyclopropylmethyl)-2-hydroxy-4-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106608691
N-butyl-2,4-dichloro-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106611844

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-N-(cyclopropylmethyl)-N-(pyrrolidin-2-ylmethyl)benzamide?
The IUPAC name of 4-bromo-2-chloro-N-(cyclopropylmethyl)-N-(pyrrolidin-2-ylmethyl)benzamide (CID 106608555) is 4-bromo-2-chloro-N-(cyclopropylmethyl)-N-(pyrrolidin-2-ylmethyl)benzamide.
What is the SMILES notation for 4-bromo-2-chloro-N-(cyclopropylmethyl)-N-(pyrrolidin-2-ylmethyl)benzamide?
The canonical SMILES for 4-bromo-2-chloro-N-(cyclopropylmethyl)-N-(pyrrolidin-2-ylmethyl)benzamide is O=C(c1ccc(Br)cc1Cl)N(CC1CC1)CC1CCCN1.
What is the InChIKey of 4-bromo-2-chloro-N-(cyclopropylmethyl)-N-(pyrrolidin-2-ylmethyl)benzamide?
The InChIKey is HQBLADOAWNVQLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrClN2O/c17-12-5-6-14(15(18)8-12)16(21)20(9-11-3-4-11)10-13-2-1-7-19-13/h5-6,8,11,13,19H,1-4,7,9-10H2.
What are the key properties of 4-bromo-2-chloro-N-(cyclopropylmethyl)-N-(pyrrolidin-2-ylmethyl)benzamide?
4-bromo-2-chloro-N-(cyclopropylmethyl)-N-(pyrrolidin-2-ylmethyl)benzamide has a molecular weight of 371.71 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-chloro-N-(cyclopropylmethyl)-N-(pyrrolidin-2-ylmethyl)benzamide is sourced from PubChem (CID 106608555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).