4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]-N-(1H-indol-3-yl)benzamide

C22H23N3O — CID 118378754

IUPAC4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]-N-(1H-indol-3-yl)benzamide
SMILESO=C(Nc1c[nH]c2ccccc12)c1ccc([C@@H]2C[C@H]2NCC2CC2)cc1
InChIInChI=1S/C22H23N3O/c26-22(25-21-13-24-19-4-2-1-3-17(19)21)16-9-7-15(8-10-16)18-11-20(18)23-12-14-5-6-14/h1-4,7-10,13-14,18,20,23-24H,5-6,11-12H2,(H,25,26)/t18-,20+/m0/s1
InChIKeyGVJSOOFWPGXWKN-AZUAARDMSA-N
MW345.45 g/mol
LogP4.28
Rot. Bonds6

About 4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]-N-(1H-indol-3-yl)benzamide

4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]-N-(1H-indol-3-yl)benzamide (PubChem CID 118378754) has the molecular formula C22H23N3O and a molecular weight of 345.45 g/mol. Its IUPAC name is 4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]-N-(1H-indol-3-yl)benzamide.

Molecular Properties

Compound Name4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]-N-(1H-indol-3-yl)benzamide
PubChem CID118378754
Molecular FormulaC22H23N3O
Molecular Weight345.45 g/mol
Exact Mass345.18
IUPAC Name4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]-N-(1H-indol-3-yl)benzamide
SMILESO=C(Nc1c[nH]c2ccccc12)c1ccc([C@@H]2C[C@H]2NCC2CC2)cc1
InChIInChI=1S/C22H23N3O/c26-22(25-21-13-24-19-4-2-1-3-17(19)21)16-9-7-15(8-10-16)18-11-20(18)23-12-14-5-6-14/h1-4,7-10,13-14,18,20,23-24H,5-6,11-12H2,(H,25,26)/t18-,20+/m0/s1
InChIKeyGVJSOOFWPGXWKN-AZUAARDMSA-N
XLogP4.28
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 54.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]-1H-indole-3-carboxamide
CID 90214102
2-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-1-(1H-indol-3-yl)ethanone
CID 160904336
4-benzamido-N-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]benzamide
CID 86729911
N-[4-[2-(cyclopropylmethylamino)cyclopropyl]-2-methylphenyl]benzamide
CID 90214289
4-tert-butyl-N-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]benzamide
CID 90214029
4-tert-butyl-N-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]benzamide
CID 90214032
N-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-4-methylbenzamide;hydrochloride
CID 90214407
N-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]-4-pyrimidin-2-ylbenzamide
CID 90214109
N-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]-4-(dimethylamino)benzamide
CID 90214253
4-(2-chlorophenyl)-N-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]benzamide;hydrochloride
CID 90213944
N-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]-4-phenylmethoxybenzamide;hydrochloride
CID 90214183
4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]-N-(1-methylpyrazol-4-yl)benzamide
CID 118304398

Frequently Asked Questions

What is the IUPAC name of 4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]-N-(1H-indol-3-yl)benzamide?
The IUPAC name of 4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]-N-(1H-indol-3-yl)benzamide (CID 118378754) is 4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]-N-(1H-indol-3-yl)benzamide.
What is the SMILES notation for 4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]-N-(1H-indol-3-yl)benzamide?
The canonical SMILES for 4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]-N-(1H-indol-3-yl)benzamide is O=C(Nc1c[nH]c2ccccc12)c1ccc([C@@H]2C[C@H]2NCC2CC2)cc1.
What is the InChIKey of 4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]-N-(1H-indol-3-yl)benzamide?
The InChIKey is GVJSOOFWPGXWKN-AZUAARDMSA-N. The full InChI is InChI=1S/C22H23N3O/c26-22(25-21-13-24-19-4-2-1-3-17(19)21)16-9-7-15(8-10-16)18-11-20(18)23-12-14-5-6-14/h1-4,7-10,13-14,18,20,23-24H,5-6,11-12H2,(H,25,26)/t18-,20+/m0/s1.
What are the key properties of 4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]-N-(1H-indol-3-yl)benzamide?
4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]-N-(1H-indol-3-yl)benzamide has a molecular weight of 345.45 g/mol, XLogP of 4.28, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]-N-(1H-indol-3-yl)benzamide is sourced from PubChem (CID 118378754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).