(2S)-2-(4-benzoyl-1,4-diazepan-1-yl)-2-(4-fluorophenyl)acetamide

C20H22FN3O2 — CID 30807703

IUPAC(2S)-2-(4-benzoyl-1,4-diazepan-1-yl)-2-(4-fluorophenyl)acetamide
SMILESNC(=O)[C@H](c1ccc(F)cc1)N1CCCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C20H22FN3O2/c21-17-9-7-15(8-10-17)18(19(22)25)23-11-4-12-24(14-13-23)20(26)16-5-2-1-3-6-16/h1-3,5-10,18H,4,11-14H2,(H2,22,25)/t18-/m0/s1
InChIKeyLDUJZLHIMNQRJC-SFHVURJKSA-N
MW355.41 g/mol
LogP2.20
Rot. Bonds4

About (2S)-2-(4-benzoyl-1,4-diazepan-1-yl)-2-(4-fluorophenyl)acetamide

(2S)-2-(4-benzoyl-1,4-diazepan-1-yl)-2-(4-fluorophenyl)acetamide (PubChem CID 30807703) has the molecular formula C20H22FN3O2 and a molecular weight of 355.41 g/mol. Its IUPAC name is (2S)-2-(4-benzoyl-1,4-diazepan-1-yl)-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name(2S)-2-(4-benzoyl-1,4-diazepan-1-yl)-2-(4-fluorophenyl)acetamide
PubChem CID30807703
Molecular FormulaC20H22FN3O2
Molecular Weight355.41 g/mol
Exact Mass355.17
IUPAC Name(2S)-2-(4-benzoyl-1,4-diazepan-1-yl)-2-(4-fluorophenyl)acetamide
SMILESNC(=O)[C@H](c1ccc(F)cc1)N1CCCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C20H22FN3O2/c21-17-9-7-15(8-10-17)18(19(22)25)23-11-4-12-24(14-13-23)20(26)16-5-2-1-3-6-16/h1-3,5-10,18H,4,11-14H2,(H2,22,25)/t18-/m0/s1
InChIKeyLDUJZLHIMNQRJC-SFHVURJKSA-N
XLogP2.20
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.41
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-benzoylpiperazin-1-yl)-2-(4-fluorophenyl)acetamide
CID 69403152
[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-phenylmethanone
CID 9378917
2-(4-fluorophenyl)-2-pyrrolidin-1-ylacetamide
CID 82114619
2-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-2-phenylacetamide
CID 51307935
(2S)-2-(4-benzoylpiperazin-1-yl)-2-phenyl-1-piperidin-1-ylethanone
CID 8597142
4-(4-fluorobenzoyl)-1,4-diazepane-1-carboxylic acid
CID 67493364
2-[4-(4-ethylbenzoyl)piperazin-1-yl]-2-phenylacetamide
CID 51297445
(2R)-2-[4-(furan-3-carbonyl)piperazin-1-yl]-2-phenylacetamide
CID 34955258
2-(azocan-1-yl)-2-phenylacetamide
CID 42889497
[4-[(4-bromophenyl)-phenylmethyl]piperazin-1-yl]-(4-fluorophenyl)methanone
CID 46100068
[4-[(R)-(4-fluorophenyl)-phenylmethyl]piperazin-1-yl]-(4-methylphenyl)methanone
CID 92767617
(2R)-2-(4-acetylpiperazin-1-yl)-2-phenylacetamide
CID 51908871

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-benzoyl-1,4-diazepan-1-yl)-2-(4-fluorophenyl)acetamide?
The IUPAC name of (2S)-2-(4-benzoyl-1,4-diazepan-1-yl)-2-(4-fluorophenyl)acetamide (CID 30807703) is (2S)-2-(4-benzoyl-1,4-diazepan-1-yl)-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for (2S)-2-(4-benzoyl-1,4-diazepan-1-yl)-2-(4-fluorophenyl)acetamide?
The canonical SMILES for (2S)-2-(4-benzoyl-1,4-diazepan-1-yl)-2-(4-fluorophenyl)acetamide is NC(=O)[C@H](c1ccc(F)cc1)N1CCCN(C(=O)c2ccccc2)CC1.
What is the InChIKey of (2S)-2-(4-benzoyl-1,4-diazepan-1-yl)-2-(4-fluorophenyl)acetamide?
The InChIKey is LDUJZLHIMNQRJC-SFHVURJKSA-N. The full InChI is InChI=1S/C20H22FN3O2/c21-17-9-7-15(8-10-17)18(19(22)25)23-11-4-12-24(14-13-23)20(26)16-5-2-1-3-6-16/h1-3,5-10,18H,4,11-14H2,(H2,22,25)/t18-/m0/s1.
What are the key properties of (2S)-2-(4-benzoyl-1,4-diazepan-1-yl)-2-(4-fluorophenyl)acetamide?
(2S)-2-(4-benzoyl-1,4-diazepan-1-yl)-2-(4-fluorophenyl)acetamide has a molecular weight of 355.41 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-benzoyl-1,4-diazepan-1-yl)-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 30807703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).