CID 123415418

C14H17BCl2N2O2 — CID 123415418

IUPAC—
SMILES[B]C(CC(C)C)NC(=O)CNC(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H17BCl2N2O2/c1-8(2)5-12(15)19-13(20)7-18-14(21)10-6-9(16)3-4-11(10)17/h3-4,6,8,12H,5,7H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyCDFSNHZUTLZCTK-UHFFFAOYSA-N
MW327.02 g/mol
LogP2.38
Rot. Bonds6

About CID 123415418

CID 123415418 (PubChem CID 123415418) has the molecular formula C14H17BCl2N2O2 and a molecular weight of 327.02 g/mol.

Molecular Properties

Compound NameCID 123415418
PubChem CID123415418
Molecular FormulaC14H17BCl2N2O2
Molecular Weight327.02 g/mol
Exact Mass326.08
IUPAC Name—
SMILES[B]C(CC(C)C)NC(=O)CNC(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H17BCl2N2O2/c1-8(2)5-12(15)19-13(20)7-18-14(21)10-6-9(16)3-4-11(10)17/h3-4,6,8,12H,5,7H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyCDFSNHZUTLZCTK-UHFFFAOYSA-N
XLogP2.38
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.02
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

2,5-dichloro-N-[2-[[(1R)-1-dimethylboranyl-3-methylbutyl]amino]-2-oxoethyl]benzamide
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2,5-dichloro-N-[2-[[(1R)-1-(3,4-dimethyloxaboretan-2-yl)-3-methylbutyl]amino]-2-oxoethyl]benzamide
CID 142418320
2,5-dichloro-N-[2-[[(1R)-3-methyl-1-(3,3,4,4-tetramethyloxaboretan-2-yl)butyl]amino]-2-oxoethyl]benzamide;ethane
CID 142533840
2,5-dichloro-N-[2-[[(1R)-1-[(5S,7R)-5,7-dimethyl-4,8-dioxo-1,3,6,2-trioxaborocan-2-yl]-3-methylbutyl]amino]-2-oxoethyl]benzamide
CID 140759178
5-chloro-2-hydroxy-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 43402430
(2S)-2-[[2-[(4-chloro-2-methylbenzoyl)amino]acetyl]amino]-4-methylpentanoic acid
CID 120695546
2,5-dichloro-N-[(2R)-2-hydroxypropyl]benzamide
CID 83031874
[[2-[(2,5-dichlorobenzoyl)amino]acetyl]amino]methylboronic acid
CID 142284164
N-[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl]-2,4-dichlorobenzamide
CID 8852436
5-chloro-2-hydroxy-N-[2-(2-methylpropylamino)-2-oxoethyl]benzamide
CID 49167744
2,5-dichloro-N-[2-[[(1R)-3-methyl-1-[(5R)-4-oxo-5-phenyl-1,3,2-dioxaborolan-2-yl]butyl]amino]-2-oxoethyl]benzamide
CID 69035657

Frequently Asked Questions

What is the IUPAC name of CID 123415418?
The IUPAC name of CID 123415418 (CID 123415418) is not available.
What is the SMILES notation for CID 123415418?
The canonical SMILES for CID 123415418 is [B]C(CC(C)C)NC(=O)CNC(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of CID 123415418?
The InChIKey is CDFSNHZUTLZCTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BCl2N2O2/c1-8(2)5-12(15)19-13(20)7-18-14(21)10-6-9(16)3-4-11(10)17/h3-4,6,8,12H,5,7H2,1-2H3,(H,18,21)(H,19,20).
What are the key properties of CID 123415418?
CID 123415418 has a molecular weight of 327.02 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 123415418 is sourced from PubChem (CID 123415418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).