3-chloro-N-[2-[2-(1,4-diazepan-1-yl)-2-oxoethyl]phenyl]benzamide

C20H22ClN3O2 — CID 23908069

IUPAC3-chloro-N-[2-[2-(1,4-diazepan-1-yl)-2-oxoethyl]phenyl]benzamide
SMILESO=C(Nc1ccccc1CC(=O)N1CCCNCC1)c1cccc(Cl)c1
InChIInChI=1S/C20H22ClN3O2/c21-17-7-3-6-16(13-17)20(26)23-18-8-2-1-5-15(18)14-19(25)24-11-4-9-22-10-12-24/h1-3,5-8,13,22H,4,9-12,14H2,(H,23,26)
InChIKeyGHCWWQDGVDQUFS-UHFFFAOYSA-N
MW371.87 g/mol
LogP2.96
Rot. Bonds4

About 3-chloro-N-[2-[2-(1,4-diazepan-1-yl)-2-oxoethyl]phenyl]benzamide

3-chloro-N-[2-[2-(1,4-diazepan-1-yl)-2-oxoethyl]phenyl]benzamide (PubChem CID 23908069) has the molecular formula C20H22ClN3O2 and a molecular weight of 371.87 g/mol. Its IUPAC name is 3-chloro-N-[2-[2-(1,4-diazepan-1-yl)-2-oxoethyl]phenyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[2-[2-(1,4-diazepan-1-yl)-2-oxoethyl]phenyl]benzamide
PubChem CID23908069
Molecular FormulaC20H22ClN3O2
Molecular Weight371.87 g/mol
Exact Mass371.14
IUPAC Name3-chloro-N-[2-[2-(1,4-diazepan-1-yl)-2-oxoethyl]phenyl]benzamide
SMILESO=C(Nc1ccccc1CC(=O)N1CCCNCC1)c1cccc(Cl)c1
InChIInChI=1S/C20H22ClN3O2/c21-17-7-3-6-16(13-17)20(26)23-18-8-2-1-5-15(18)14-19(25)24-11-4-9-22-10-12-24/h1-3,5-8,13,22H,4,9-12,14H2,(H,23,26)
InChIKeyGHCWWQDGVDQUFS-UHFFFAOYSA-N
XLogP2.96
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.87
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[4-(1,4-diazepane-1-carbonyl)-2-methylphenyl]benzamide
CID 23885173
2-(3-chloroanilino)-1-(1,4-diazepan-1-yl)ethanone
CID 142710170
5-[(3-chlorobenzoyl)amino]-N-cyclopropyl-6-[4-[2-(1,4-diazepan-1-yl)-2-oxoethyl]piperidin-1-yl]pyridine-3-carboxamide
CID 67344639
2-(3-chlorophenyl)sulfanyl-1-(1,4-diazepan-1-yl)ethanone
CID 62647379
3-chloro-N-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]benzamide
CID 110314357
2-(2,4-dichlorophenyl)-1-piperazin-1-ylethanone
CID 14964763
2-[2-(2,6-dichloroanilino)phenyl]-1-piperidin-1-ylethanone
CID 12884237
N-[4-(1,4-diazepan-1-yl)-4-oxobutyl]benzamide
CID 119418551
2-[3-[(2-chlorophenyl)methoxy]phenyl]-1-(1,4-diazepan-1-yl)ethanone
CID 119416917
3-[2-(1,4-diazepane-1-carbonylamino)phenyl]propanoic acid
CID 107274027
3-[(3-chlorobenzoyl)amino]-N-cyclopropyl-4-[4-[2-(1,3-diazinan-1-yl)-2-oxoethyl]piperidin-1-yl]benzamide
CID 123415510
ethyl 4-[2-[(3-chlorobenzoyl)amino]benzoyl]piperazine-1-carboxylate
CID 17311490

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-[2-(1,4-diazepan-1-yl)-2-oxoethyl]phenyl]benzamide?
The IUPAC name of 3-chloro-N-[2-[2-(1,4-diazepan-1-yl)-2-oxoethyl]phenyl]benzamide (CID 23908069) is 3-chloro-N-[2-[2-(1,4-diazepan-1-yl)-2-oxoethyl]phenyl]benzamide.
What is the SMILES notation for 3-chloro-N-[2-[2-(1,4-diazepan-1-yl)-2-oxoethyl]phenyl]benzamide?
The canonical SMILES for 3-chloro-N-[2-[2-(1,4-diazepan-1-yl)-2-oxoethyl]phenyl]benzamide is O=C(Nc1ccccc1CC(=O)N1CCCNCC1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[2-[2-(1,4-diazepan-1-yl)-2-oxoethyl]phenyl]benzamide?
The InChIKey is GHCWWQDGVDQUFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O2/c21-17-7-3-6-16(13-17)20(26)23-18-8-2-1-5-15(18)14-19(25)24-11-4-9-22-10-12-24/h1-3,5-8,13,22H,4,9-12,14H2,(H,23,26).
What are the key properties of 3-chloro-N-[2-[2-(1,4-diazepan-1-yl)-2-oxoethyl]phenyl]benzamide?
3-chloro-N-[2-[2-(1,4-diazepan-1-yl)-2-oxoethyl]phenyl]benzamide has a molecular weight of 371.87 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-[2-(1,4-diazepan-1-yl)-2-oxoethyl]phenyl]benzamide is sourced from PubChem (CID 23908069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).