N-[(1R)-1-(4-bromophenyl)ethyl]-4-(3-phenyl-1H-pyrazol-5-yl)benzamide

C24H20BrN3O — CID 93017305

IUPACN-[(1R)-1-(4-bromophenyl)ethyl]-4-(3-phenyl-1H-pyrazol-5-yl)benzamide
SMILESC[C@@H](NC(=O)c1ccc(-c2cc(-c3ccccc3)n[nH]2)cc1)c1ccc(Br)cc1
InChIInChI=1S/C24H20BrN3O/c1-16(17-11-13-21(25)14-12-17)26-24(29)20-9-7-19(8-10-20)23-15-22(27-28-23)18-5-3-2-4-6-18/h2-16H,1H3,(H,26,29)(H,27,28)/t16-/m1/s1
InChIKeyAPDNBEGHKMAHFI-MRXNPFEDSA-N
MW446.35 g/mol
LogP6.00
Rot. Bonds5

About N-[(1R)-1-(4-bromophenyl)ethyl]-4-(3-phenyl-1H-pyrazol-5-yl)benzamide

N-[(1R)-1-(4-bromophenyl)ethyl]-4-(3-phenyl-1H-pyrazol-5-yl)benzamide (PubChem CID 93017305) has the molecular formula C24H20BrN3O and a molecular weight of 446.35 g/mol. Its IUPAC name is N-[(1R)-1-(4-bromophenyl)ethyl]-4-(3-phenyl-1H-pyrazol-5-yl)benzamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-bromophenyl)ethyl]-4-(3-phenyl-1H-pyrazol-5-yl)benzamide
PubChem CID93017305
Molecular FormulaC24H20BrN3O
Molecular Weight446.35 g/mol
Exact Mass445.08
IUPAC NameN-[(1R)-1-(4-bromophenyl)ethyl]-4-(3-phenyl-1H-pyrazol-5-yl)benzamide
SMILESC[C@@H](NC(=O)c1ccc(-c2cc(-c3ccccc3)n[nH]2)cc1)c1ccc(Br)cc1
InChIInChI=1S/C24H20BrN3O/c1-16(17-11-13-21(25)14-12-17)26-24(29)20-9-7-19(8-10-20)23-15-22(27-28-23)18-5-3-2-4-6-18/h2-16H,1H3,(H,26,29)(H,27,28)/t16-/m1/s1
InChIKeyAPDNBEGHKMAHFI-MRXNPFEDSA-N
XLogP6.00
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.35
LogP ≤ 56.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-1-(4-bromophenyl)ethyl]-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]benzamide
CID 92773087
4-bromo-N-[1-(4-phenylphenyl)ethyl]benzamide
CID 4267711
4-(5-naphthalen-1-yl-1H-pyrazol-3-yl)-N-[(1S)-1-phenylethyl]benzamide
CID 92819649
N-[2-[1-(4-bromophenyl)ethylamino]-2-oxoethyl]-4-phenylbenzamide
CID 55350026
1-[4-(3-phenyl-1H-pyrazol-5-yl)phenyl]ethanone
CID 155037922
2-[(4-bromobenzoyl)amino]-N-(1-phenylethyl)benzamide
CID 2943396
N-[(1S)-1-(4-bromophenyl)ethyl]-4-chlorobenzamide
CID 7733481
N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-(5-naphthalen-1-yl-1H-pyrazol-3-yl)benzamide
CID 46091971
N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-phenylbenzamide
CID 977346
N-[(1R)-1-(4-bromophenyl)ethyl]-3-iodobenzamide
CID 95356863
4-methyl-N-[(1S)-1-phenylethyl]benzamide
CID 730323
4-(bromomethyl)-N-[1-(4-bromophenyl)ethyl]benzamide
CID 102850891

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-bromophenyl)ethyl]-4-(3-phenyl-1H-pyrazol-5-yl)benzamide?
The IUPAC name of N-[(1R)-1-(4-bromophenyl)ethyl]-4-(3-phenyl-1H-pyrazol-5-yl)benzamide (CID 93017305) is N-[(1R)-1-(4-bromophenyl)ethyl]-4-(3-phenyl-1H-pyrazol-5-yl)benzamide.
What is the SMILES notation for N-[(1R)-1-(4-bromophenyl)ethyl]-4-(3-phenyl-1H-pyrazol-5-yl)benzamide?
The canonical SMILES for N-[(1R)-1-(4-bromophenyl)ethyl]-4-(3-phenyl-1H-pyrazol-5-yl)benzamide is C[C@@H](NC(=O)c1ccc(-c2cc(-c3ccccc3)n[nH]2)cc1)c1ccc(Br)cc1.
What is the InChIKey of N-[(1R)-1-(4-bromophenyl)ethyl]-4-(3-phenyl-1H-pyrazol-5-yl)benzamide?
The InChIKey is APDNBEGHKMAHFI-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H20BrN3O/c1-16(17-11-13-21(25)14-12-17)26-24(29)20-9-7-19(8-10-20)23-15-22(27-28-23)18-5-3-2-4-6-18/h2-16H,1H3,(H,26,29)(H,27,28)/t16-/m1/s1.
What are the key properties of N-[(1R)-1-(4-bromophenyl)ethyl]-4-(3-phenyl-1H-pyrazol-5-yl)benzamide?
N-[(1R)-1-(4-bromophenyl)ethyl]-4-(3-phenyl-1H-pyrazol-5-yl)benzamide has a molecular weight of 446.35 g/mol, XLogP of 6.00, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-bromophenyl)ethyl]-4-(3-phenyl-1H-pyrazol-5-yl)benzamide is sourced from PubChem (CID 93017305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).