3-chloro-N-[(2-chlorophenyl)methyl]-2,2-dimethyl-N-(2-pyridin-2-ylethyl)propanamide

C19H22Cl2N2O — CID 42696833

IUPAC3-chloro-N-[(2-chlorophenyl)methyl]-2,2-dimethyl-N-(2-pyridin-2-ylethyl)propanamide
SMILESCC(C)(CCl)C(=O)N(CCc1ccccn1)Cc1ccccc1Cl
InChIInChI=1S/C19H22Cl2N2O/c1-19(2,14-20)18(24)23(12-10-16-8-5-6-11-22-16)13-15-7-3-4-9-17(15)21/h3-9,11H,10,12-14H2,1-2H3
InChIKeyYXVQJBUZQXVLON-UHFFFAOYSA-N
MW365.30 g/mol
LogP4.57
Rot. Bonds7

About 3-chloro-N-[(2-chlorophenyl)methyl]-2,2-dimethyl-N-(2-pyridin-2-ylethyl)propanamide

3-chloro-N-[(2-chlorophenyl)methyl]-2,2-dimethyl-N-(2-pyridin-2-ylethyl)propanamide (PubChem CID 42696833) has the molecular formula C19H22Cl2N2O and a molecular weight of 365.30 g/mol. Its IUPAC name is 3-chloro-N-[(2-chlorophenyl)methyl]-2,2-dimethyl-N-(2-pyridin-2-ylethyl)propanamide.

Molecular Properties

Compound Name3-chloro-N-[(2-chlorophenyl)methyl]-2,2-dimethyl-N-(2-pyridin-2-ylethyl)propanamide
PubChem CID42696833
Molecular FormulaC19H22Cl2N2O
Molecular Weight365.30 g/mol
Exact Mass364.11
IUPAC Name3-chloro-N-[(2-chlorophenyl)methyl]-2,2-dimethyl-N-(2-pyridin-2-ylethyl)propanamide
SMILESCC(C)(CCl)C(=O)N(CCc1ccccn1)Cc1ccccc1Cl
InChIInChI=1S/C19H22Cl2N2O/c1-19(2,14-20)18(24)23(12-10-16-8-5-6-11-22-16)13-15-7-3-4-9-17(15)21/h3-9,11H,10,12-14H2,1-2H3
InChIKeyYXVQJBUZQXVLON-UHFFFAOYSA-N
XLogP4.57
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.30
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-chlorophenyl)methyl]-2-ethyl-N-(2-pyridin-2-ylethyl)hexanamide
CID 42696835
3-(4-bromophenyl)-1-[(2-chlorophenyl)methyl]-1-(2-pyridin-2-ylethyl)urea
CID 1057498
N-[(2-chlorophenyl)methyl]-4-methyl-3-nitro-N-(2-pyridin-2-ylethyl)benzamide
CID 42696840
3-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(pyridin-2-ylmethyl)propanamide
CID 113119443
3,4-dichloro-N-[(2-methoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)benzamide
CID 42695992
2-bromo-N,2-dimethyl-N-(2-pyridin-2-ylethyl)propanamide
CID 116816951
1-(2-chlorophenyl)-2-[methyl(2-pyridin-2-ylethyl)amino]ethanone
CID 43228057
2-amino-N-[(2-chlorophenyl)methyl]-N-ethyl-2-methylpropanamide
CID 61265237
N-methyl-2-pyridin-2-yl-N-(pyridin-2-ylmethyl)ethanamine;oxalic acid
CID 2845946
2-chloro-N-[[4-(2-phenylethenyl)phenyl]methyl]-N-(2-pyridin-2-ylethyl)benzamide
CID 72629544
4-chloro-2,6-bis[[methyl(2-pyridin-2-ylethyl)amino]methyl]phenol
CID 139202506
2-[(2-chlorophenyl)methyl]-4-pyridin-2-ylbutanoic acid
CID 79418089

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(2-chlorophenyl)methyl]-2,2-dimethyl-N-(2-pyridin-2-ylethyl)propanamide?
The IUPAC name of 3-chloro-N-[(2-chlorophenyl)methyl]-2,2-dimethyl-N-(2-pyridin-2-ylethyl)propanamide (CID 42696833) is 3-chloro-N-[(2-chlorophenyl)methyl]-2,2-dimethyl-N-(2-pyridin-2-ylethyl)propanamide.
What is the SMILES notation for 3-chloro-N-[(2-chlorophenyl)methyl]-2,2-dimethyl-N-(2-pyridin-2-ylethyl)propanamide?
The canonical SMILES for 3-chloro-N-[(2-chlorophenyl)methyl]-2,2-dimethyl-N-(2-pyridin-2-ylethyl)propanamide is CC(C)(CCl)C(=O)N(CCc1ccccn1)Cc1ccccc1Cl.
What is the InChIKey of 3-chloro-N-[(2-chlorophenyl)methyl]-2,2-dimethyl-N-(2-pyridin-2-ylethyl)propanamide?
The InChIKey is YXVQJBUZQXVLON-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22Cl2N2O/c1-19(2,14-20)18(24)23(12-10-16-8-5-6-11-22-16)13-15-7-3-4-9-17(15)21/h3-9,11H,10,12-14H2,1-2H3.
What are the key properties of 3-chloro-N-[(2-chlorophenyl)methyl]-2,2-dimethyl-N-(2-pyridin-2-ylethyl)propanamide?
3-chloro-N-[(2-chlorophenyl)methyl]-2,2-dimethyl-N-(2-pyridin-2-ylethyl)propanamide has a molecular weight of 365.30 g/mol, XLogP of 4.57, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(2-chlorophenyl)methyl]-2,2-dimethyl-N-(2-pyridin-2-ylethyl)propanamide is sourced from PubChem (CID 42696833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).