3-chloro-4-fluoro-N-[3-(methylamino)-3-oxopropyl]-5-propan-2-ylbenzamide

C14H18ClFN2O2 — CID 134581007

IUPAC3-chloro-4-fluoro-N-[3-(methylamino)-3-oxopropyl]-5-propan-2-ylbenzamide
SMILESCNC(=O)CCNC(=O)c1cc(Cl)c(F)c(C(C)C)c1
InChIInChI=1S/C14H18ClFN2O2/c1-8(2)10-6-9(7-11(15)13(10)16)14(20)18-5-4-12(19)17-3/h6-8H,4-5H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyHCRJALIAURXPFS-UHFFFAOYSA-N
MW300.76 g/mol
LogP2.47
Rot. Bonds5

About 3-chloro-4-fluoro-N-[3-(methylamino)-3-oxopropyl]-5-propan-2-ylbenzamide

3-chloro-4-fluoro-N-[3-(methylamino)-3-oxopropyl]-5-propan-2-ylbenzamide (PubChem CID 134581007) has the molecular formula C14H18ClFN2O2 and a molecular weight of 300.76 g/mol. Its IUPAC name is 3-chloro-4-fluoro-N-[3-(methylamino)-3-oxopropyl]-5-propan-2-ylbenzamide.

Molecular Properties

Compound Name3-chloro-4-fluoro-N-[3-(methylamino)-3-oxopropyl]-5-propan-2-ylbenzamide
PubChem CID134581007
Molecular FormulaC14H18ClFN2O2
Molecular Weight300.76 g/mol
Exact Mass300.10
IUPAC Name3-chloro-4-fluoro-N-[3-(methylamino)-3-oxopropyl]-5-propan-2-ylbenzamide
SMILESCNC(=O)CCNC(=O)c1cc(Cl)c(F)c(C(C)C)c1
InChIInChI=1S/C14H18ClFN2O2/c1-8(2)10-6-9(7-11(15)13(10)16)14(20)18-5-4-12(19)17-3/h6-8H,4-5H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyHCRJALIAURXPFS-UHFFFAOYSA-N
XLogP2.47
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.76
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-3,5-difluoro-N-[3-(methylamino)-3-oxopropyl]benzamide
CID 63185530
3-chloro-4-(methylamino)-N-[3-(methylamino)-3-oxopropyl]-5-nitrobenzamide
CID 62175197
5-[4-(hydroxyamino)-4-oxobutanoyl]-3-N-[3-(hydroxyamino)-3-oxopropyl]-1-N-[3-(methylamino)-3-oxopropyl]benzene-1,3-dicarboxamide
CID 59290096
N-[3-(methylamino)-3-oxopropyl]naphthalene-2-carboxamide
CID 47161001
2-chloro-6-(ethylamino)-N-[3-(methylamino)-3-oxopropyl]pyridine-4-carboxamide
CID 62175036
2-[3-[(3,5-dichloro-4-methylbenzoyl)amino]propanoylamino]acetic acid
CID 72920501
3-chloro-4-iodo-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide
CID 103734931
5-iodo-N-[3-(methylamino)-3-oxopropyl]thiophene-3-carboxamide
CID 78949941
5-fluoro-2-hydroxy-N-[3-(methylamino)-3-oxopropyl]benzamide
CID 79881248
3-[2-fluoro-4-[[3-(methylamino)-3-oxopropyl]carbamoyl]phenyl]prop-2-enoic acid
CID 76927128
1,5-dichloro-2-fluoro-3-propan-2-ylbenzene
CID 118361843
2,3-difluoro-N-[3-(methylamino)-3-oxopropyl]pyridine-4-carboxamide
CID 105381092

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-fluoro-N-[3-(methylamino)-3-oxopropyl]-5-propan-2-ylbenzamide?
The IUPAC name of 3-chloro-4-fluoro-N-[3-(methylamino)-3-oxopropyl]-5-propan-2-ylbenzamide (CID 134581007) is 3-chloro-4-fluoro-N-[3-(methylamino)-3-oxopropyl]-5-propan-2-ylbenzamide.
What is the SMILES notation for 3-chloro-4-fluoro-N-[3-(methylamino)-3-oxopropyl]-5-propan-2-ylbenzamide?
The canonical SMILES for 3-chloro-4-fluoro-N-[3-(methylamino)-3-oxopropyl]-5-propan-2-ylbenzamide is CNC(=O)CCNC(=O)c1cc(Cl)c(F)c(C(C)C)c1.
What is the InChIKey of 3-chloro-4-fluoro-N-[3-(methylamino)-3-oxopropyl]-5-propan-2-ylbenzamide?
The InChIKey is HCRJALIAURXPFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClFN2O2/c1-8(2)10-6-9(7-11(15)13(10)16)14(20)18-5-4-12(19)17-3/h6-8H,4-5H2,1-3H3,(H,17,19)(H,18,20).
What are the key properties of 3-chloro-4-fluoro-N-[3-(methylamino)-3-oxopropyl]-5-propan-2-ylbenzamide?
3-chloro-4-fluoro-N-[3-(methylamino)-3-oxopropyl]-5-propan-2-ylbenzamide has a molecular weight of 300.76 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-fluoro-N-[3-(methylamino)-3-oxopropyl]-5-propan-2-ylbenzamide is sourced from PubChem (CID 134581007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).