2-chloro-N-[(1R)-1-naphthalen-1-ylethyl]-5-pyrrolidin-3-ylbenzamide

C23H23ClN2O — CID 165115852

IUPAC2-chloro-N-[(1R)-1-naphthalen-1-ylethyl]-5-pyrrolidin-3-ylbenzamide
SMILESC[C@@H](NC(=O)c1cc(C2CCNC2)ccc1Cl)c1cccc2ccccc12
InChIInChI=1S/C23H23ClN2O/c1-15(19-8-4-6-16-5-2-3-7-20(16)19)26-23(27)21-13-17(9-10-22(21)24)18-11-12-25-14-18/h2-10,13,15,18,25H,11-12,14H2,1H3,(H,26,27)/t15-,18?/m1/s1
InChIKeyDDVJTJGTBIGIEJ-NNJIEVJOSA-N
MW378.90 g/mol
LogP5.06
Rot. Bonds4

About 2-chloro-N-[(1R)-1-naphthalen-1-ylethyl]-5-pyrrolidin-3-ylbenzamide

2-chloro-N-[(1R)-1-naphthalen-1-ylethyl]-5-pyrrolidin-3-ylbenzamide (PubChem CID 165115852) has the molecular formula C23H23ClN2O and a molecular weight of 378.90 g/mol. Its IUPAC name is 2-chloro-N-[(1R)-1-naphthalen-1-ylethyl]-5-pyrrolidin-3-ylbenzamide.

Molecular Properties

Compound Name2-chloro-N-[(1R)-1-naphthalen-1-ylethyl]-5-pyrrolidin-3-ylbenzamide
PubChem CID165115852
Molecular FormulaC23H23ClN2O
Molecular Weight378.90 g/mol
Exact Mass378.15
IUPAC Name2-chloro-N-[(1R)-1-naphthalen-1-ylethyl]-5-pyrrolidin-3-ylbenzamide
SMILESC[C@@H](NC(=O)c1cc(C2CCNC2)ccc1Cl)c1cccc2ccccc12
InChIInChI=1S/C23H23ClN2O/c1-15(19-8-4-6-16-5-2-3-7-20(16)19)26-23(27)21-13-17(9-10-22(21)24)18-11-12-25-14-18/h2-10,13,15,18,25H,11-12,14H2,1H3,(H,26,27)/t15-,18?/m1/s1
InChIKeyDDVJTJGTBIGIEJ-NNJIEVJOSA-N
XLogP5.06
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.90
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]-5-(pyrrolidin-3-ylmethylamino)benzamide
CID 163231588
N-(1-naphthalen-1-ylethyl)naphthalene-1-carboxamide
CID 593320
N-[3-[[(1R)-1-naphthalen-1-ylethyl]carbamoyl]-4-[(propan-2-ylamino)methyl]phenyl]piperazine-2-carboxamide
CID 163231726
2-(cyclopropanecarbonylamino)-N-[(1S)-1-naphthalen-1-ylethyl]benzamide
CID 167794265
3,5-dichloro-4-hydroxy-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
CID 59038441
N-[4-methyl-3-[[(1R)-1-naphthalen-1-ylethyl]carbamoyl]phenyl]pyrrolidine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 175710913
(3R)-N-[(1R)-1-naphthalen-1-ylethyl]pyrrolidin-3-amine;dihydrochloride
CID 67407230
2-[[(1R)-1-naphthalen-1-ylethyl]carbamoyl]benzoic acid
CID 853685
2,2,2-trichloro-N-(1-naphthalen-1-ylethyl)acetamide
CID 14511505
5-cyclopropyl-N-(1-naphthalen-1-ylethyl)-1H-pyrazole-3-carboxamide
CID 46577659
2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]-5-[[(2S)-pyrrolidin-2-yl]methylamino]benzamide
CID 163231585
2-amino-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
CID 131858457

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(1R)-1-naphthalen-1-ylethyl]-5-pyrrolidin-3-ylbenzamide?
The IUPAC name of 2-chloro-N-[(1R)-1-naphthalen-1-ylethyl]-5-pyrrolidin-3-ylbenzamide (CID 165115852) is 2-chloro-N-[(1R)-1-naphthalen-1-ylethyl]-5-pyrrolidin-3-ylbenzamide.
What is the SMILES notation for 2-chloro-N-[(1R)-1-naphthalen-1-ylethyl]-5-pyrrolidin-3-ylbenzamide?
The canonical SMILES for 2-chloro-N-[(1R)-1-naphthalen-1-ylethyl]-5-pyrrolidin-3-ylbenzamide is C[C@@H](NC(=O)c1cc(C2CCNC2)ccc1Cl)c1cccc2ccccc12.
What is the InChIKey of 2-chloro-N-[(1R)-1-naphthalen-1-ylethyl]-5-pyrrolidin-3-ylbenzamide?
The InChIKey is DDVJTJGTBIGIEJ-NNJIEVJOSA-N. The full InChI is InChI=1S/C23H23ClN2O/c1-15(19-8-4-6-16-5-2-3-7-20(16)19)26-23(27)21-13-17(9-10-22(21)24)18-11-12-25-14-18/h2-10,13,15,18,25H,11-12,14H2,1H3,(H,26,27)/t15-,18?/m1/s1.
What are the key properties of 2-chloro-N-[(1R)-1-naphthalen-1-ylethyl]-5-pyrrolidin-3-ylbenzamide?
2-chloro-N-[(1R)-1-naphthalen-1-ylethyl]-5-pyrrolidin-3-ylbenzamide has a molecular weight of 378.90 g/mol, XLogP of 5.06, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(1R)-1-naphthalen-1-ylethyl]-5-pyrrolidin-3-ylbenzamide is sourced from PubChem (CID 165115852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).