4-[[2-[2-[(2-chlorophenyl)methylamino]phenyl]-1-oxopropan-2-yl]amino]-N-hydroxybenzamide

C23H22ClN3O3 — CID 88849505

IUPAC4-[[2-[2-[(2-chlorophenyl)methylamino]phenyl]-1-oxopropan-2-yl]amino]-N-hydroxybenzamide
SMILESCC(C=O)(Nc1ccc(C(=O)NO)cc1)c1ccccc1NCc1ccccc1Cl
InChIInChI=1S/C23H22ClN3O3/c1-23(15-28,26-18-12-10-16(11-13-18)22(29)27-30)19-7-3-5-9-21(19)25-14-17-6-2-4-8-20(17)24/h2-13,15,25-26,30H,14H2,1H3,(H,27,29)
InChIKeyJNUFOMHJKLROOY-UHFFFAOYSA-N
MW423.90 g/mol
LogP4.60
Rot. Bonds8

About 4-[[2-[2-[(2-chlorophenyl)methylamino]phenyl]-1-oxopropan-2-yl]amino]-N-hydroxybenzamide

4-[[2-[2-[(2-chlorophenyl)methylamino]phenyl]-1-oxopropan-2-yl]amino]-N-hydroxybenzamide (PubChem CID 88849505) has the molecular formula C23H22ClN3O3 and a molecular weight of 423.90 g/mol. Its IUPAC name is 4-[[2-[2-[(2-chlorophenyl)methylamino]phenyl]-1-oxopropan-2-yl]amino]-N-hydroxybenzamide.

Molecular Properties

Compound Name4-[[2-[2-[(2-chlorophenyl)methylamino]phenyl]-1-oxopropan-2-yl]amino]-N-hydroxybenzamide
PubChem CID88849505
Molecular FormulaC23H22ClN3O3
Molecular Weight423.90 g/mol
Exact Mass423.13
IUPAC Name4-[[2-[2-[(2-chlorophenyl)methylamino]phenyl]-1-oxopropan-2-yl]amino]-N-hydroxybenzamide
SMILESCC(C=O)(Nc1ccc(C(=O)NO)cc1)c1ccccc1NCc1ccccc1Cl
InChIInChI=1S/C23H22ClN3O3/c1-23(15-28,26-18-12-10-16(11-13-18)22(29)27-30)19-7-3-5-9-21(19)25-14-17-6-2-4-8-20(17)24/h2-13,15,25-26,30H,14H2,1H3,(H,27,29)
InChIKeyJNUFOMHJKLROOY-UHFFFAOYSA-N
XLogP4.60
TPSA90.46 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.90
LogP ≤ 54.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[2-[(2-chlorophenyl)methylamino]phenyl]-2-methylpropanoic acid
CID 110452184
1-[4-[(2-chlorophenyl)methylamino]phenyl]ethanone
CID 82095831
2-[(2-chlorophenyl)methylamino]-N-hydroxypyrimidine-5-carboxamide
CID 57380747
propan-2-yl 4-[(2-chlorophenyl)methylamino]benzoate
CID 43231429
N-(2-tert-butylphenyl)-2-[(2-chlorophenyl)methylamino]acetamide
CID 108997968
4-tert-butyl-N-[6-[(2-chlorophenyl)methylamino]-3-pyridinyl]benzamide
CID 113012213
2-[2-[(2-chlorophenyl)methylamino]phenyl]acetamide
CID 43738427
2-tert-butyl-N-[(3-chloro-2-fluorophenyl)methyl]aniline
CID 114487326
methyl 2-[(2-chlorophenyl)methylamino]benzoate
CID 43087858
4-[[(2-chlorophenyl)methyl-prop-2-ynylamino]methyl]-N-hydroxybenzamide
CID 175191139
N-[3-[(2-chlorophenyl)methylamino]-4-methylphenyl]propanamide
CID 43677249
4-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]-N-(2-methoxyethyl)benzamide
CID 54836241

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[2-[(2-chlorophenyl)methylamino]phenyl]-1-oxopropan-2-yl]amino]-N-hydroxybenzamide?
The IUPAC name of 4-[[2-[2-[(2-chlorophenyl)methylamino]phenyl]-1-oxopropan-2-yl]amino]-N-hydroxybenzamide (CID 88849505) is 4-[[2-[2-[(2-chlorophenyl)methylamino]phenyl]-1-oxopropan-2-yl]amino]-N-hydroxybenzamide.
What is the SMILES notation for 4-[[2-[2-[(2-chlorophenyl)methylamino]phenyl]-1-oxopropan-2-yl]amino]-N-hydroxybenzamide?
The canonical SMILES for 4-[[2-[2-[(2-chlorophenyl)methylamino]phenyl]-1-oxopropan-2-yl]amino]-N-hydroxybenzamide is CC(C=O)(Nc1ccc(C(=O)NO)cc1)c1ccccc1NCc1ccccc1Cl.
What is the InChIKey of 4-[[2-[2-[(2-chlorophenyl)methylamino]phenyl]-1-oxopropan-2-yl]amino]-N-hydroxybenzamide?
The InChIKey is JNUFOMHJKLROOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN3O3/c1-23(15-28,26-18-12-10-16(11-13-18)22(29)27-30)19-7-3-5-9-21(19)25-14-17-6-2-4-8-20(17)24/h2-13,15,25-26,30H,14H2,1H3,(H,27,29).
What are the key properties of 4-[[2-[2-[(2-chlorophenyl)methylamino]phenyl]-1-oxopropan-2-yl]amino]-N-hydroxybenzamide?
4-[[2-[2-[(2-chlorophenyl)methylamino]phenyl]-1-oxopropan-2-yl]amino]-N-hydroxybenzamide has a molecular weight of 423.90 g/mol, XLogP of 4.60, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[2-[(2-chlorophenyl)methylamino]phenyl]-1-oxopropan-2-yl]amino]-N-hydroxybenzamide is sourced from PubChem (CID 88849505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).