4-chloro-N-(2,4-difluorobenzene-3-id-1-yl)-N-propan-2-ylbenzamide;titanium

C16H13ClF2NOTi- — CID 174383702

IUPAC4-chloro-N-(2,4-difluorobenzene-3-id-1-yl)-N-propan-2-ylbenzamide;titanium
SMILESCC(C)N(C(=O)c1ccc(Cl)cc1)c1ccc(F)[c-]c1F.[Ti]
InChIInChI=1S/C16H13ClF2NO.Ti/c1-10(2)20(15-8-7-13(18)9-14(15)19)16(21)11-3-5-12(17)6-4-11;/h3-8,10H,1-2H3;/q-1;
InChIKeyAMEUXJVKYBOLNV-UHFFFAOYSA-N
MW356.60 g/mol
LogP4.47
Rot. Bonds3

About 4-chloro-N-(2,4-difluorobenzene-3-id-1-yl)-N-propan-2-ylbenzamide;titanium

4-chloro-N-(2,4-difluorobenzene-3-id-1-yl)-N-propan-2-ylbenzamide;titanium (PubChem CID 174383702) has the molecular formula C16H13ClF2NOTi- and a molecular weight of 356.60 g/mol. Its IUPAC name is 4-chloro-N-(2,4-difluorobenzene-3-id-1-yl)-N-propan-2-ylbenzamide;titanium.

Molecular Properties

Compound Name4-chloro-N-(2,4-difluorobenzene-3-id-1-yl)-N-propan-2-ylbenzamide;titanium
PubChem CID174383702
Molecular FormulaC16H13ClF2NOTi-
Molecular Weight356.60 g/mol
Exact Mass356.01
IUPAC Name4-chloro-N-(2,4-difluorobenzene-3-id-1-yl)-N-propan-2-ylbenzamide;titanium
SMILESCC(C)N(C(=O)c1ccc(Cl)cc1)c1ccc(F)[c-]c1F.[Ti]
InChIInChI=1S/C16H13ClF2NO.Ti/c1-10(2)20(15-8-7-13(18)9-14(15)19)16(21)11-3-5-12(17)6-4-11;/h3-8,10H,1-2H3;/q-1;
InChIKeyAMEUXJVKYBOLNV-UHFFFAOYSA-N
XLogP4.47
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.60
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2-fluorophenyl)-N-propan-2-ylbenzamide
CID 141030490
N-(2,4-dichlorophenyl)-N-propan-2-yl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide
CID 15986765
2-[(4-chlorobenzoyl)-propan-2-ylamino]-5-phenoxybenzoic acid
CID 24738387
N-but-3-en-2-yl-4-chloro-N-phenylbenzamide
CID 175533632
N-carbonisocyanatidoyl-4-chloro-N-propan-2-ylbenzamide
CID 12815645
N,N'-diacetyl-4-chloro-N'-(4-chlorobenzoyl)benzohydrazide
CID 3820065
N-(2,4-dichlorophenyl)-N-propan-2-ylcarbamoyl chloride
CID 56949574
4-chloro-N-(1-hydroxypropan-2-yl)-N-methylbenzamide
CID 115765131
4-chloro-N-(2-chloropropyl)-N-methylbenzamide
CID 63393567
methyl 2-[(4-chlorobenzoyl)-propan-2-ylamino]acetate
CID 54941937
N-(4-chlorobenzoyl)-N-methylcarbamoyl chloride
CID 54256213
2-chloro-N-(4-chlorophenyl)-N-propan-2-ylpropanamide
CID 15045876

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2,4-difluorobenzene-3-id-1-yl)-N-propan-2-ylbenzamide;titanium?
The IUPAC name of 4-chloro-N-(2,4-difluorobenzene-3-id-1-yl)-N-propan-2-ylbenzamide;titanium (CID 174383702) is 4-chloro-N-(2,4-difluorobenzene-3-id-1-yl)-N-propan-2-ylbenzamide;titanium.
What is the SMILES notation for 4-chloro-N-(2,4-difluorobenzene-3-id-1-yl)-N-propan-2-ylbenzamide;titanium?
The canonical SMILES for 4-chloro-N-(2,4-difluorobenzene-3-id-1-yl)-N-propan-2-ylbenzamide;titanium is CC(C)N(C(=O)c1ccc(Cl)cc1)c1ccc(F)[c-]c1F.[Ti].
What is the InChIKey of 4-chloro-N-(2,4-difluorobenzene-3-id-1-yl)-N-propan-2-ylbenzamide;titanium?
The InChIKey is AMEUXJVKYBOLNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClF2NO.Ti/c1-10(2)20(15-8-7-13(18)9-14(15)19)16(21)11-3-5-12(17)6-4-11;/h3-8,10H,1-2H3;/q-1;.
What are the key properties of 4-chloro-N-(2,4-difluorobenzene-3-id-1-yl)-N-propan-2-ylbenzamide;titanium?
4-chloro-N-(2,4-difluorobenzene-3-id-1-yl)-N-propan-2-ylbenzamide;titanium has a molecular weight of 356.60 g/mol, XLogP of 4.47, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2,4-difluorobenzene-3-id-1-yl)-N-propan-2-ylbenzamide;titanium is sourced from PubChem (CID 174383702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).