4-chloro-N-[(1R,3S)-3-hydroxy-1,3-diphenylpropyl]benzamide

C22H20ClNO2 — CID 11024937

IUPAC4-chloro-N-[(1R,3S)-3-hydroxy-1,3-diphenylpropyl]benzamide
SMILESO=C(N[C@H](C[C@H](O)c1ccccc1)c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C22H20ClNO2/c23-19-13-11-18(12-14-19)22(26)24-20(16-7-3-1-4-8-16)15-21(25)17-9-5-2-6-10-17/h1-14,20-21,25H,15H2,(H,24,26)/t20-,21+/m1/s1
InChIKeyMVTLCORPMPVDIE-RTWAWAEBSA-N
MW365.86 g/mol
LogP4.93
Rot. Bonds6

About 4-chloro-N-[(1R,3S)-3-hydroxy-1,3-diphenylpropyl]benzamide

4-chloro-N-[(1R,3S)-3-hydroxy-1,3-diphenylpropyl]benzamide (PubChem CID 11024937) has the molecular formula C22H20ClNO2 and a molecular weight of 365.86 g/mol. Its IUPAC name is 4-chloro-N-[(1R,3S)-3-hydroxy-1,3-diphenylpropyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[(1R,3S)-3-hydroxy-1,3-diphenylpropyl]benzamide
PubChem CID11024937
Molecular FormulaC22H20ClNO2
Molecular Weight365.86 g/mol
Exact Mass365.12
IUPAC Name4-chloro-N-[(1R,3S)-3-hydroxy-1,3-diphenylpropyl]benzamide
SMILESO=C(N[C@H](C[C@H](O)c1ccccc1)c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C22H20ClNO2/c23-19-13-11-18(12-14-19)22(26)24-20(16-7-3-1-4-8-16)15-21(25)17-9-5-2-6-10-17/h1-14,20-21,25H,15H2,(H,24,26)/t20-,21+/m1/s1
InChIKeyMVTLCORPMPVDIE-RTWAWAEBSA-N
XLogP4.93
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.86
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide
CID 1480121
4-chloro-N-[(1R)-2-(dimethylamino)-1-phenylethyl]benzamide
CID 8936052
(1S,3R)-3-(4-chloroanilino)-1,3-diphenylpropan-1-ol
CID 129396698
N-(3-methyl-1-phenylbutyl)benzamide
CID 46770250
1-N,4-N-bis(1-phenylpropyl)benzene-1,4-dicarboxamide
CID 43912072
4-chloro-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]benzamide
CID 9148310
N-(2-chloro-1-phenylethyl)-4-propan-2-ylbenzamide
CID 114300182
3-[[2-(4-chlorobenzoyl)benzoyl]amino]-3-phenylpropanoic acid
CID 23909275
4-(carbamoylamino)-N-[2-(4-chlorophenyl)-1-phenylethyl]benzamide
CID 55976674
(4-chlorophenyl)methyl 3-benzamido-3-phenylpropanoate
CID 18277631
4-chloro-N-[(1S)-2-methyl-1-phenylpropyl]benzamide
CID 9050596
3-benzamido-3-phenylpropanoic acid
CID 2834576

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(1R,3S)-3-hydroxy-1,3-diphenylpropyl]benzamide?
The IUPAC name of 4-chloro-N-[(1R,3S)-3-hydroxy-1,3-diphenylpropyl]benzamide (CID 11024937) is 4-chloro-N-[(1R,3S)-3-hydroxy-1,3-diphenylpropyl]benzamide.
What is the SMILES notation for 4-chloro-N-[(1R,3S)-3-hydroxy-1,3-diphenylpropyl]benzamide?
The canonical SMILES for 4-chloro-N-[(1R,3S)-3-hydroxy-1,3-diphenylpropyl]benzamide is O=C(N[C@H](C[C@H](O)c1ccccc1)c1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[(1R,3S)-3-hydroxy-1,3-diphenylpropyl]benzamide?
The InChIKey is MVTLCORPMPVDIE-RTWAWAEBSA-N. The full InChI is InChI=1S/C22H20ClNO2/c23-19-13-11-18(12-14-19)22(26)24-20(16-7-3-1-4-8-16)15-21(25)17-9-5-2-6-10-17/h1-14,20-21,25H,15H2,(H,24,26)/t20-,21+/m1/s1.
What are the key properties of 4-chloro-N-[(1R,3S)-3-hydroxy-1,3-diphenylpropyl]benzamide?
4-chloro-N-[(1R,3S)-3-hydroxy-1,3-diphenylpropyl]benzamide has a molecular weight of 365.86 g/mol, XLogP of 4.93, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(1R,3S)-3-hydroxy-1,3-diphenylpropyl]benzamide is sourced from PubChem (CID 11024937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).