3-(2-chlorophenyl)-N-methyl-3-phenyl-N-(pyrimidin-4-ylmethyl)propanamide

C21H20ClN3O — CID 45210495

IUPAC3-(2-chlorophenyl)-N-methyl-3-phenyl-N-(pyrimidin-4-ylmethyl)propanamide
SMILESCN(Cc1ccncn1)C(=O)CC(c1ccccc1)c1ccccc1Cl
InChIInChI=1S/C21H20ClN3O/c1-25(14-17-11-12-23-15-24-17)21(26)13-19(16-7-3-2-4-8-16)18-9-5-6-10-20(18)22/h2-12,15,19H,13-14H2,1H3
InChIKeyHXNDNXYKUXHSKY-UHFFFAOYSA-N
MW365.86 g/mol
LogP4.31
Rot. Bonds6

About 3-(2-chlorophenyl)-N-methyl-3-phenyl-N-(pyrimidin-4-ylmethyl)propanamide

3-(2-chlorophenyl)-N-methyl-3-phenyl-N-(pyrimidin-4-ylmethyl)propanamide (PubChem CID 45210495) has the molecular formula C21H20ClN3O and a molecular weight of 365.86 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-methyl-3-phenyl-N-(pyrimidin-4-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N-methyl-3-phenyl-N-(pyrimidin-4-ylmethyl)propanamide
PubChem CID45210495
Molecular FormulaC21H20ClN3O
Molecular Weight365.86 g/mol
Exact Mass365.13
IUPAC Name3-(2-chlorophenyl)-N-methyl-3-phenyl-N-(pyrimidin-4-ylmethyl)propanamide
SMILESCN(Cc1ccncn1)C(=O)CC(c1ccccc1)c1ccccc1Cl
InChIInChI=1S/C21H20ClN3O/c1-25(14-17-11-12-23-15-24-17)21(26)13-19(16-7-3-2-4-8-16)18-9-5-6-10-20(18)22/h2-12,15,19H,13-14H2,1H3
InChIKeyHXNDNXYKUXHSKY-UHFFFAOYSA-N
XLogP4.31
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.86
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-(4-chlorophenyl)-N-methyl-3-phenyl-N-(pyrimidin-4-ylmethyl)propanamide
CID 42245901
(3R)-3-(2-chlorophenyl)-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-3-phenylpropanamide
CID 26315813
3-(2-chlorophenyl)-N-(2-imidazol-1-ylethyl)-N-methyl-3-phenylpropanamide
CID 45183065
methyl 2-[[3-(2-chlorophenyl)-3-phenylpropanoyl]-methylamino]acetate
CID 45204448
(3S)-3-(2-chlorophenyl)-3-(3-hydroxyphenyl)-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]propanamide
CID 42309815
3-(2-chlorophenyl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-(3-hydroxyphenyl)-N-methylpropanamide
CID 45250325
(3R)-3-(4-methoxyphenyl)-N-methyl-3-phenyl-N-(pyridin-2-ylmethyl)propanamide
CID 42522519
(3R)-3-(4-chlorophenyl)-N-methyl-3-phenyl-N-(1,3-thiazol-2-ylmethyl)propanamide
CID 42117371
N-[(4-chlorophenyl)methyl]-N-methyl-3,3-diphenylpropanamide
CID 43909696
(3S)-3-(3-chlorophenyl)-3-(3-hydroxyphenyl)-N-methyl-N-(pyrazin-2-ylmethyl)propanamide
CID 26395678
3-(2-fluorophenyl)-N-methyl-3-phenyl-N-(2-pyridin-2-ylethyl)propanamide
CID 45210792
(3S)-3-(3-chlorophenyl)-3-phenyl-N-(pyrimidin-4-ylmethyl)propanamide
CID 25301507

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N-methyl-3-phenyl-N-(pyrimidin-4-ylmethyl)propanamide?
The IUPAC name of 3-(2-chlorophenyl)-N-methyl-3-phenyl-N-(pyrimidin-4-ylmethyl)propanamide (CID 45210495) is 3-(2-chlorophenyl)-N-methyl-3-phenyl-N-(pyrimidin-4-ylmethyl)propanamide.
What is the SMILES notation for 3-(2-chlorophenyl)-N-methyl-3-phenyl-N-(pyrimidin-4-ylmethyl)propanamide?
The canonical SMILES for 3-(2-chlorophenyl)-N-methyl-3-phenyl-N-(pyrimidin-4-ylmethyl)propanamide is CN(Cc1ccncn1)C(=O)CC(c1ccccc1)c1ccccc1Cl.
What is the InChIKey of 3-(2-chlorophenyl)-N-methyl-3-phenyl-N-(pyrimidin-4-ylmethyl)propanamide?
The InChIKey is HXNDNXYKUXHSKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O/c1-25(14-17-11-12-23-15-24-17)21(26)13-19(16-7-3-2-4-8-16)18-9-5-6-10-20(18)22/h2-12,15,19H,13-14H2,1H3.
What are the key properties of 3-(2-chlorophenyl)-N-methyl-3-phenyl-N-(pyrimidin-4-ylmethyl)propanamide?
3-(2-chlorophenyl)-N-methyl-3-phenyl-N-(pyrimidin-4-ylmethyl)propanamide has a molecular weight of 365.86 g/mol, XLogP of 4.31, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-N-methyl-3-phenyl-N-(pyrimidin-4-ylmethyl)propanamide is sourced from PubChem (CID 45210495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).