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

C21H20ClN3O — CID 42245901

IUPAC(3S)-3-(4-chlorophenyl)-N-methyl-3-phenyl-N-(pyrimidin-4-ylmethyl)propanamide
SMILESCN(Cc1ccncn1)C(=O)C[C@@H](c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C21H20ClN3O/c1-25(14-19-11-12-23-15-24-19)21(26)13-20(16-5-3-2-4-6-16)17-7-9-18(22)10-8-17/h2-12,15,20H,13-14H2,1H3/t20-/m0/s1
InChIKeyBFNPDRQOQIVQRS-FQEVSTJZSA-N
MW365.86 g/mol
LogP4.31
Rot. Bonds6

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

(3S)-3-(4-chlorophenyl)-N-methyl-3-phenyl-N-(pyrimidin-4-ylmethyl)propanamide (PubChem CID 42245901) has the molecular formula C21H20ClN3O and a molecular weight of 365.86 g/mol. Its IUPAC name is (3S)-3-(4-chlorophenyl)-N-methyl-3-phenyl-N-(pyrimidin-4-ylmethyl)propanamide.

Molecular Properties

Compound Name(3S)-3-(4-chlorophenyl)-N-methyl-3-phenyl-N-(pyrimidin-4-ylmethyl)propanamide
PubChem CID42245901
Molecular FormulaC21H20ClN3O
Molecular Weight365.86 g/mol
Exact Mass365.13
IUPAC Name(3S)-3-(4-chlorophenyl)-N-methyl-3-phenyl-N-(pyrimidin-4-ylmethyl)propanamide
SMILESCN(Cc1ccncn1)C(=O)C[C@@H](c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C21H20ClN3O/c1-25(14-19-11-12-23-15-24-19)21(26)13-20(16-5-3-2-4-6-16)17-7-9-18(22)10-8-17/h2-12,15,20H,13-14H2,1H3/t20-/m0/s1
InChIKeyBFNPDRQOQIVQRS-FQEVSTJZSA-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

3-(2-chlorophenyl)-N-methyl-3-phenyl-N-(pyrimidin-4-ylmethyl)propanamide
CID 45210495
(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
(3R)-3-(4-methoxyphenyl)-N-methyl-3-phenyl-N-(pyridin-2-ylmethyl)propanamide
CID 42522519
(3S)-3-(3-chlorophenyl)-3-phenyl-N-(pyrimidin-4-ylmethyl)propanamide
CID 25301507
(3S)-3-(3-chlorophenyl)-3-(3-hydroxyphenyl)-N-methyl-N-(pyrazin-2-ylmethyl)propanamide
CID 26395678
3,3-bis(4-chlorophenyl)-N-(2-hydroxyethyl)-N-methylpropanamide
CID 22949885
N,N-dimethyl-4-[(1R)-1-phenyl-2-pyrimidin-4-ylethyl]aniline
CID 139095953
(3S)-3-(4-chlorophenyl)-N-methyl-3-phenyl-N-[2-(1H-pyrazol-4-yl)ethyl]propanamide
CID 42214678
3-(4-chlorophenyl)-N-methyl-3-phenyl-N-[2-(1H-pyrazol-4-yl)ethyl]propanamide
CID 45175377
2-phenyl-2-(pyrimidin-4-ylmethylamino)acetic acid
CID 62749098
N-[2-(4-chlorophenoxy)ethyl]-N-methyl-3-phenylbutanamide
CID 112792657

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(4-chlorophenyl)-N-methyl-3-phenyl-N-(pyrimidin-4-ylmethyl)propanamide?
The IUPAC name of (3S)-3-(4-chlorophenyl)-N-methyl-3-phenyl-N-(pyrimidin-4-ylmethyl)propanamide (CID 42245901) is (3S)-3-(4-chlorophenyl)-N-methyl-3-phenyl-N-(pyrimidin-4-ylmethyl)propanamide.
What is the SMILES notation for (3S)-3-(4-chlorophenyl)-N-methyl-3-phenyl-N-(pyrimidin-4-ylmethyl)propanamide?
The canonical SMILES for (3S)-3-(4-chlorophenyl)-N-methyl-3-phenyl-N-(pyrimidin-4-ylmethyl)propanamide is CN(Cc1ccncn1)C(=O)C[C@@H](c1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of (3S)-3-(4-chlorophenyl)-N-methyl-3-phenyl-N-(pyrimidin-4-ylmethyl)propanamide?
The InChIKey is BFNPDRQOQIVQRS-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H20ClN3O/c1-25(14-19-11-12-23-15-24-19)21(26)13-20(16-5-3-2-4-6-16)17-7-9-18(22)10-8-17/h2-12,15,20H,13-14H2,1H3/t20-/m0/s1.
What are the key properties of (3S)-3-(4-chlorophenyl)-N-methyl-3-phenyl-N-(pyrimidin-4-ylmethyl)propanamide?
(3S)-3-(4-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 (3S)-3-(4-chlorophenyl)-N-methyl-3-phenyl-N-(pyrimidin-4-ylmethyl)propanamide is sourced from PubChem (CID 42245901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).