3-chloro-N-[(S)-[4-(difluoromethoxy)phenyl]-phenylmethyl]benzamide

C21H16ClF2NO2 — CID 25440599

IUPAC3-chloro-N-[(S)-[4-(difluoromethoxy)phenyl]-phenylmethyl]benzamide
SMILESO=C(N[C@@H](c1ccccc1)c1ccc(OC(F)F)cc1)c1cccc(Cl)c1
InChIInChI=1S/C21H16ClF2NO2/c22-17-8-4-7-16(13-17)20(26)25-19(14-5-2-1-3-6-14)15-9-11-18(12-10-15)27-21(23)24/h1-13,19,21H,(H,25,26)/t19-/m0/s1
InChIKeyTXOKVIYLPPXAIA-IBGZPJMESA-N
MW387.81 g/mol
LogP5.46
Rot. Bonds6

About 3-chloro-N-[(S)-[4-(difluoromethoxy)phenyl]-phenylmethyl]benzamide

3-chloro-N-[(S)-[4-(difluoromethoxy)phenyl]-phenylmethyl]benzamide (PubChem CID 25440599) has the molecular formula C21H16ClF2NO2 and a molecular weight of 387.81 g/mol. Its IUPAC name is 3-chloro-N-[(S)-[4-(difluoromethoxy)phenyl]-phenylmethyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[(S)-[4-(difluoromethoxy)phenyl]-phenylmethyl]benzamide
PubChem CID25440599
Molecular FormulaC21H16ClF2NO2
Molecular Weight387.81 g/mol
Exact Mass387.08
IUPAC Name3-chloro-N-[(S)-[4-(difluoromethoxy)phenyl]-phenylmethyl]benzamide
SMILESO=C(N[C@@H](c1ccccc1)c1ccc(OC(F)F)cc1)c1cccc(Cl)c1
InChIInChI=1S/C21H16ClF2NO2/c22-17-8-4-7-16(13-17)20(26)25-19(14-5-2-1-3-6-14)15-9-11-18(12-10-15)27-21(23)24/h1-13,19,21H,(H,25,26)/t19-/m0/s1
InChIKeyTXOKVIYLPPXAIA-IBGZPJMESA-N
XLogP5.46
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.81
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(S)-(4-chlorophenyl)-phenylmethyl]-3-fluorobenzamide
CID 973229
N-[[4-(difluoromethoxy)phenyl]-phenylmethyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 43020451
1-(3-chlorophenyl)-1-[4-(difluoromethoxy)phenyl]-N-methylmethanamine
CID 115811779
N-[[4-(difluoromethoxy)phenyl]-phenylmethyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 16581720
3-(difluoromethoxy)-N-(2-hydroxy-1-phenylethyl)benzamide
CID 110931053
N-[[4-(difluoromethoxy)phenyl]-phenylmethyl]-5-methylthiophene-2-carboxamide
CID 16561484
3-chloro-N-propan-2-ylbenzamide
CID 669184
3-chloro-N-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]benzamide
CID 40648027
3-(difluoromethoxy)-N-propan-2-ylbenzamide
CID 60634617
3-chloro-N-[1-(3-propan-2-yloxyphenyl)ethyl]benzamide
CID 46487521
2,5-dichloro-N-[(4-methoxyphenyl)-phenylmethyl]benzamide
CID 16559317
3-chloro-N-[(1R)-1-[4-(difluoromethoxy)phenyl]ethyl]-4-hydroxybenzamide
CID 51933816

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(S)-[4-(difluoromethoxy)phenyl]-phenylmethyl]benzamide?
The IUPAC name of 3-chloro-N-[(S)-[4-(difluoromethoxy)phenyl]-phenylmethyl]benzamide (CID 25440599) is 3-chloro-N-[(S)-[4-(difluoromethoxy)phenyl]-phenylmethyl]benzamide.
What is the SMILES notation for 3-chloro-N-[(S)-[4-(difluoromethoxy)phenyl]-phenylmethyl]benzamide?
The canonical SMILES for 3-chloro-N-[(S)-[4-(difluoromethoxy)phenyl]-phenylmethyl]benzamide is O=C(N[C@@H](c1ccccc1)c1ccc(OC(F)F)cc1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[(S)-[4-(difluoromethoxy)phenyl]-phenylmethyl]benzamide?
The InChIKey is TXOKVIYLPPXAIA-IBGZPJMESA-N. The full InChI is InChI=1S/C21H16ClF2NO2/c22-17-8-4-7-16(13-17)20(26)25-19(14-5-2-1-3-6-14)15-9-11-18(12-10-15)27-21(23)24/h1-13,19,21H,(H,25,26)/t19-/m0/s1.
What are the key properties of 3-chloro-N-[(S)-[4-(difluoromethoxy)phenyl]-phenylmethyl]benzamide?
3-chloro-N-[(S)-[4-(difluoromethoxy)phenyl]-phenylmethyl]benzamide has a molecular weight of 387.81 g/mol, XLogP of 5.46, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(S)-[4-(difluoromethoxy)phenyl]-phenylmethyl]benzamide is sourced from PubChem (CID 25440599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).