4-amino-3,5-dichloro-N-[(R)-[(2R)-1-methylpiperidin-2-yl]-phenylmethyl]benzamide;hydrochloride

C20H24Cl3N3O — CID 67165144

IUPAC4-amino-3,5-dichloro-N-[(R)-[(2R)-1-methylpiperidin-2-yl]-phenylmethyl]benzamide;hydrochloride
SMILESCN1CCCC[C@@H]1[C@H](NC(=O)c1cc(Cl)c(N)c(Cl)c1)c1ccccc1.Cl
InChIInChI=1S/C20H23Cl2N3O.ClH/c1-25-10-6-5-9-17(25)19(13-7-3-2-4-8-13)24-20(26)14-11-15(21)18(23)16(22)12-14;/h2-4,7-8,11-12,17,19H,5-6,9-10,23H2,1H3,(H,24,26);1H/t17-,19-;/m1./s1
InChIKeyRWHJUICSENDGPF-POCMBTLOSA-N
MW428.79 g/mol
LogP4.95
Rot. Bonds4

About 4-amino-3,5-dichloro-N-[(R)-[(2R)-1-methylpiperidin-2-yl]-phenylmethyl]benzamide;hydrochloride

4-amino-3,5-dichloro-N-[(R)-[(2R)-1-methylpiperidin-2-yl]-phenylmethyl]benzamide;hydrochloride (PubChem CID 67165144) has the molecular formula C20H24Cl3N3O and a molecular weight of 428.79 g/mol. Its IUPAC name is 4-amino-3,5-dichloro-N-[(R)-[(2R)-1-methylpiperidin-2-yl]-phenylmethyl]benzamide;hydrochloride.

Molecular Properties

Compound Name4-amino-3,5-dichloro-N-[(R)-[(2R)-1-methylpiperidin-2-yl]-phenylmethyl]benzamide;hydrochloride
PubChem CID67165144
Molecular FormulaC20H24Cl3N3O
Molecular Weight428.79 g/mol
Exact Mass427.10
IUPAC Name4-amino-3,5-dichloro-N-[(R)-[(2R)-1-methylpiperidin-2-yl]-phenylmethyl]benzamide;hydrochloride
SMILESCN1CCCC[C@@H]1[C@H](NC(=O)c1cc(Cl)c(N)c(Cl)c1)c1ccccc1.Cl
InChIInChI=1S/C20H23Cl2N3O.ClH/c1-25-10-6-5-9-17(25)19(13-7-3-2-4-8-13)24-20(26)14-11-15(21)18(23)16(22)12-14;/h2-4,7-8,11-12,17,19H,5-6,9-10,23H2,1H3,(H,24,26);1H/t17-,19-;/m1./s1
InChIKeyRWHJUICSENDGPF-POCMBTLOSA-N
XLogP4.95
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.79
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-3-chloro-N-[(1-methylpiperidin-2-yl)-phenylmethyl]-5-(trifluoromethyl)benzamide
CID 69104804
2,3-dichloro-N-[(S)-[(2S)-1-methylazepan-2-yl]-phenylmethyl]benzamide
CID 129152159
2,5-dichloro-N-[(S)-[(2S)-1-methylpiperidin-2-yl]-phenylmethyl]thiophene-3-carboxamide
CID 11339141
(1S)-N-methyl-1-[(2S)-1-methylpiperidin-2-yl]-1-phenylmethanamine
CID 67869065
4-amino-3,3,5,5-tetrachloro-N-[(R)-[(2R)-1-methylpiperidin-2-yl]-phenylmethyl]cyclohexene-1-carboxamide
CID 67165228
1-(3-amino-7-fluoro-1H-indazol-5-yl)-3-[(1-methylpiperidin-2-yl)-phenylmethyl]urea
CID 68740421
N-[phenyl-(1-prop-2-enylpiperidin-2-yl)methyl]benzamide
CID 68572281
4-amino-3,5-dichloro-N-[(1S)-1-pyridin-3-ylethyl]benzamide
CID 82833170
[(2S)-1-methylpiperidin-2-yl]-phenylmethanol
CID 67164631
[3-[[[2-chloro-3-(trifluoromethyl)benzoyl]amino]-[(2S)-1-methylpiperidin-2-yl]methyl]phenyl] trifluoromethanesulfonate
CID 87727068
1-(1H-indazol-6-yl)-3-[[(2S)-1-methylpiperidin-2-yl]-phenylmethyl]urea
CID 25153813
3-benzamido-5-[[(1-methylpiperidin-2-yl)-phenylmethyl]carbamoylamino]indazole-1-carboxylic acid
CID 68724354

Frequently Asked Questions

What is the IUPAC name of 4-amino-3,5-dichloro-N-[(R)-[(2R)-1-methylpiperidin-2-yl]-phenylmethyl]benzamide;hydrochloride?
The IUPAC name of 4-amino-3,5-dichloro-N-[(R)-[(2R)-1-methylpiperidin-2-yl]-phenylmethyl]benzamide;hydrochloride (CID 67165144) is 4-amino-3,5-dichloro-N-[(R)-[(2R)-1-methylpiperidin-2-yl]-phenylmethyl]benzamide;hydrochloride.
What is the SMILES notation for 4-amino-3,5-dichloro-N-[(R)-[(2R)-1-methylpiperidin-2-yl]-phenylmethyl]benzamide;hydrochloride?
The canonical SMILES for 4-amino-3,5-dichloro-N-[(R)-[(2R)-1-methylpiperidin-2-yl]-phenylmethyl]benzamide;hydrochloride is CN1CCCC[C@@H]1[C@H](NC(=O)c1cc(Cl)c(N)c(Cl)c1)c1ccccc1.Cl.
What is the InChIKey of 4-amino-3,5-dichloro-N-[(R)-[(2R)-1-methylpiperidin-2-yl]-phenylmethyl]benzamide;hydrochloride?
The InChIKey is RWHJUICSENDGPF-POCMBTLOSA-N. The full InChI is InChI=1S/C20H23Cl2N3O.ClH/c1-25-10-6-5-9-17(25)19(13-7-3-2-4-8-13)24-20(26)14-11-15(21)18(23)16(22)12-14;/h2-4,7-8,11-12,17,19H,5-6,9-10,23H2,1H3,(H,24,26);1H/t17-,19-;/m1./s1.
What are the key properties of 4-amino-3,5-dichloro-N-[(R)-[(2R)-1-methylpiperidin-2-yl]-phenylmethyl]benzamide;hydrochloride?
4-amino-3,5-dichloro-N-[(R)-[(2R)-1-methylpiperidin-2-yl]-phenylmethyl]benzamide;hydrochloride has a molecular weight of 428.79 g/mol, XLogP of 4.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3,5-dichloro-N-[(R)-[(2R)-1-methylpiperidin-2-yl]-phenylmethyl]benzamide;hydrochloride is sourced from PubChem (CID 67165144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).