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

C20H18ClN3O — CID 25301507

IUPAC(3S)-3-(3-chlorophenyl)-3-phenyl-N-(pyrimidin-4-ylmethyl)propanamide
SMILESO=C(C[C@@H](c1ccccc1)c1cccc(Cl)c1)NCc1ccncn1
InChIInChI=1S/C20H18ClN3O/c21-17-8-4-7-16(11-17)19(15-5-2-1-3-6-15)12-20(25)23-13-18-9-10-22-14-24-18/h1-11,14,19H,12-13H2,(H,23,25)/t19-/m0/s1
InChIKeyJHUOFGCATUPCRY-IBGZPJMESA-N
MW351.84 g/mol
LogP3.97
Rot. Bonds6

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

(3S)-3-(3-chlorophenyl)-3-phenyl-N-(pyrimidin-4-ylmethyl)propanamide (PubChem CID 25301507) has the molecular formula C20H18ClN3O and a molecular weight of 351.84 g/mol. Its IUPAC name is (3S)-3-(3-chlorophenyl)-3-phenyl-N-(pyrimidin-4-ylmethyl)propanamide.

Molecular Properties

Compound Name(3S)-3-(3-chlorophenyl)-3-phenyl-N-(pyrimidin-4-ylmethyl)propanamide
PubChem CID25301507
Molecular FormulaC20H18ClN3O
Molecular Weight351.84 g/mol
Exact Mass351.11
IUPAC Name(3S)-3-(3-chlorophenyl)-3-phenyl-N-(pyrimidin-4-ylmethyl)propanamide
SMILESO=C(C[C@@H](c1ccccc1)c1cccc(Cl)c1)NCc1ccncn1
InChIInChI=1S/C20H18ClN3O/c21-17-8-4-7-16(11-17)19(15-5-2-1-3-6-15)12-20(25)23-13-18-9-10-22-14-24-18/h1-11,14,19H,12-13H2,(H,23,25)/t19-/m0/s1
InChIKeyJHUOFGCATUPCRY-IBGZPJMESA-N
XLogP3.97
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.84
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-(3-chlorophenyl)-3-phenyl-N-(2-pyrazin-2-ylethyl)propanamide
CID 25375954
(3S)-3-(3-chlorophenyl)-3-(3-hydroxyphenyl)-N-(pyridin-3-ylmethyl)propanamide
CID 42533121
3-(3-chlorophenyl)-N-(2-methoxyethyl)-3-phenylpropanamide
CID 45193216
(3S)-3-(3-chlorophenyl)-3-phenyl-N-(2-pyridin-3-ylethyl)propanamide
CID 97283539
(3S)-3-(4-chlorophenyl)-N-methyl-3-phenyl-N-(pyrimidin-4-ylmethyl)propanamide
CID 42245901
(3R)-3-(4-chlorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]-3-phenylpropanamide
CID 25368116
3-(4-chlorophenyl)-3-phenyl-N-(2-pyrazin-2-ylethyl)propanamide
CID 45195362
(3S)-3-(3-chlorophenyl)-3-phenylpropanamide
CID 125467279
2-phenyl-2-(pyrimidin-4-ylmethylamino)acetic acid
CID 62749098
(3S)-3-(4-methoxyphenyl)-3-phenyl-N-(pyridin-2-ylmethyl)propanamide
CID 26404777
(3S)-3-(3-chlorophenyl)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(pyridin-4-ylmethyl)propanamide
CID 92950106
3-(3-chlorophenyl)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(pyridin-4-ylmethyl)propanamide
CID 3481488

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(3-chlorophenyl)-3-phenyl-N-(pyrimidin-4-ylmethyl)propanamide?
The IUPAC name of (3S)-3-(3-chlorophenyl)-3-phenyl-N-(pyrimidin-4-ylmethyl)propanamide (CID 25301507) is (3S)-3-(3-chlorophenyl)-3-phenyl-N-(pyrimidin-4-ylmethyl)propanamide.
What is the SMILES notation for (3S)-3-(3-chlorophenyl)-3-phenyl-N-(pyrimidin-4-ylmethyl)propanamide?
The canonical SMILES for (3S)-3-(3-chlorophenyl)-3-phenyl-N-(pyrimidin-4-ylmethyl)propanamide is O=C(C[C@@H](c1ccccc1)c1cccc(Cl)c1)NCc1ccncn1.
What is the InChIKey of (3S)-3-(3-chlorophenyl)-3-phenyl-N-(pyrimidin-4-ylmethyl)propanamide?
The InChIKey is JHUOFGCATUPCRY-IBGZPJMESA-N. The full InChI is InChI=1S/C20H18ClN3O/c21-17-8-4-7-16(11-17)19(15-5-2-1-3-6-15)12-20(25)23-13-18-9-10-22-14-24-18/h1-11,14,19H,12-13H2,(H,23,25)/t19-/m0/s1.
What are the key properties of (3S)-3-(3-chlorophenyl)-3-phenyl-N-(pyrimidin-4-ylmethyl)propanamide?
(3S)-3-(3-chlorophenyl)-3-phenyl-N-(pyrimidin-4-ylmethyl)propanamide has a molecular weight of 351.84 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(3-chlorophenyl)-3-phenyl-N-(pyrimidin-4-ylmethyl)propanamide is sourced from PubChem (CID 25301507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).