N-[3-amino-4-[(2S)-2-methylpiperidin-1-yl]phenyl]-3,5-dichloro-4-methoxybenzamide

C20H23Cl2N3O2 — CID 100803366

IUPACN-[3-amino-4-[(2S)-2-methylpiperidin-1-yl]phenyl]-3,5-dichloro-4-methoxybenzamide
SMILESCOc1c(Cl)cc(C(=O)Nc2ccc(N3CCCC[C@@H]3C)c(N)c2)cc1Cl
InChIInChI=1S/C20H23Cl2N3O2/c1-12-5-3-4-8-25(12)18-7-6-14(11-17(18)23)24-20(26)13-9-15(21)19(27-2)16(22)10-13/h6-7,9-12H,3-5,8,23H2,1-2H3,(H,24,26)/t12-/m0/s1
InChIKeyBVYLECSWOADGBE-LBPRGKRZSA-N
MW408.33 g/mol
LogP5.22
Rot. Bonds4

About N-[3-amino-4-[(2S)-2-methylpiperidin-1-yl]phenyl]-3,5-dichloro-4-methoxybenzamide

N-[3-amino-4-[(2S)-2-methylpiperidin-1-yl]phenyl]-3,5-dichloro-4-methoxybenzamide (PubChem CID 100803366) has the molecular formula C20H23Cl2N3O2 and a molecular weight of 408.33 g/mol. Its IUPAC name is N-[3-amino-4-[(2S)-2-methylpiperidin-1-yl]phenyl]-3,5-dichloro-4-methoxybenzamide.

Molecular Properties

Compound NameN-[3-amino-4-[(2S)-2-methylpiperidin-1-yl]phenyl]-3,5-dichloro-4-methoxybenzamide
PubChem CID100803366
Molecular FormulaC20H23Cl2N3O2
Molecular Weight408.33 g/mol
Exact Mass407.12
IUPAC NameN-[3-amino-4-[(2S)-2-methylpiperidin-1-yl]phenyl]-3,5-dichloro-4-methoxybenzamide
SMILESCOc1c(Cl)cc(C(=O)Nc2ccc(N3CCCC[C@@H]3C)c(N)c2)cc1Cl
InChIInChI=1S/C20H23Cl2N3O2/c1-12-5-3-4-8-25(12)18-7-6-14(11-17(18)23)24-20(26)13-9-15(21)19(27-2)16(22)10-13/h6-7,9-12H,3-5,8,23H2,1-2H3,(H,24,26)/t12-/m0/s1
InChIKeyBVYLECSWOADGBE-LBPRGKRZSA-N
XLogP5.22
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.33
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[3-amino-4-[(2S)-2-methylpiperidin-1-yl]phenyl]-3,5-dichloro-4-methoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[5-amino-2-[(2R)-2-methylpiperidin-1-yl]phenyl]-3,5-dichloro-4-methoxybenzamide
CID 100803251
N-[3-amino-4-(2-methylpiperidin-1-yl)phenyl]-3-bromo-4-methoxybenzamide
CID 91676104
N-[3-amino-4-[(2S)-2-methylpiperidin-1-yl]phenyl]-2-methoxybenzamide
CID 100803336
N-[3-amino-4-(2-methylpiperidin-1-yl)phenyl]-4-ethylbenzamide
CID 91676351
N-[3-amino-4-[(2S)-2-methylpiperidin-1-yl]phenyl]-4-ethoxybenzamide
CID 100803350
N-[3-amino-4-(2-methylpiperidin-1-yl)phenyl]-3-bromobenzamide
CID 91676371
N-[3-amino-4-[(2S)-2-methylpiperidin-1-yl]phenyl]thiophene-2-carboxamide
CID 100803273
N-[3-amino-4-(2-methylpiperidin-1-yl)phenyl]-3-propoxybenzamide
CID 91676450
N-[3-amino-4-[(2R)-2-methylpiperidin-1-yl]phenyl]-2-iodobenzamide
CID 100803316
N-[4-amino-2-chloro-5-(2-methylpiperidin-1-yl)phenyl]-4-methylbenzamide
CID 50881212
N-[5-amino-2-[(2S)-2-methylpiperidin-1-yl]phenyl]-3-chloro-4-methylbenzamide
CID 100803211
N-[4-amino-2-chloro-5-(2-methylpiperidin-1-yl)phenyl]-4-tert-butylbenzamide
CID 50881555

Frequently Asked Questions

What is the IUPAC name of N-[3-amino-4-[(2S)-2-methylpiperidin-1-yl]phenyl]-3,5-dichloro-4-methoxybenzamide?
The IUPAC name of N-[3-amino-4-[(2S)-2-methylpiperidin-1-yl]phenyl]-3,5-dichloro-4-methoxybenzamide (CID 100803366) is N-[3-amino-4-[(2S)-2-methylpiperidin-1-yl]phenyl]-3,5-dichloro-4-methoxybenzamide.
What is the SMILES notation for N-[3-amino-4-[(2S)-2-methylpiperidin-1-yl]phenyl]-3,5-dichloro-4-methoxybenzamide?
The canonical SMILES for N-[3-amino-4-[(2S)-2-methylpiperidin-1-yl]phenyl]-3,5-dichloro-4-methoxybenzamide is COc1c(Cl)cc(C(=O)Nc2ccc(N3CCCC[C@@H]3C)c(N)c2)cc1Cl.
What is the InChIKey of N-[3-amino-4-[(2S)-2-methylpiperidin-1-yl]phenyl]-3,5-dichloro-4-methoxybenzamide?
The InChIKey is BVYLECSWOADGBE-LBPRGKRZSA-N. The full InChI is InChI=1S/C20H23Cl2N3O2/c1-12-5-3-4-8-25(12)18-7-6-14(11-17(18)23)24-20(26)13-9-15(21)19(27-2)16(22)10-13/h6-7,9-12H,3-5,8,23H2,1-2H3,(H,24,26)/t12-/m0/s1.
What are the key properties of N-[3-amino-4-[(2S)-2-methylpiperidin-1-yl]phenyl]-3,5-dichloro-4-methoxybenzamide?
N-[3-amino-4-[(2S)-2-methylpiperidin-1-yl]phenyl]-3,5-dichloro-4-methoxybenzamide has a molecular weight of 408.33 g/mol, XLogP of 5.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-amino-4-[(2S)-2-methylpiperidin-1-yl]phenyl]-3,5-dichloro-4-methoxybenzamide is sourced from PubChem (CID 100803366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).