3-chloro-5-fluoro-N-[(1R,3R)-3-[[2-(2-methylbutan-2-ylamino)-2-oxoethyl]amino]cyclopentyl]benzamide

C19H27ClFN3O2 — CID 169215317

IUPAC3-chloro-5-fluoro-N-[(1R,3R)-3-[[2-(2-methylbutan-2-ylamino)-2-oxoethyl]amino]cyclopentyl]benzamide
SMILESCCC(C)(C)NC(=O)CN[C@@H]1CC[C@@H](NC(=O)c2cc(F)cc(Cl)c2)C1
InChIInChI=1S/C19H27ClFN3O2/c1-4-19(2,3)24-17(25)11-22-15-5-6-16(10-15)23-18(26)12-7-13(20)9-14(21)8-12/h7-9,15-16,22H,4-6,10-11H2,1-3H3,(H,23,26)(H,24,25)/t15-,16-/m1/s1
InChIKeyPENWZGIWKNQRBT-HZPDHXFCSA-N
MW383.90 g/mol
LogP3.02
Rot. Bonds7

About 3-chloro-5-fluoro-N-[(1R,3R)-3-[[2-(2-methylbutan-2-ylamino)-2-oxoethyl]amino]cyclopentyl]benzamide

3-chloro-5-fluoro-N-[(1R,3R)-3-[[2-(2-methylbutan-2-ylamino)-2-oxoethyl]amino]cyclopentyl]benzamide (PubChem CID 169215317) has the molecular formula C19H27ClFN3O2 and a molecular weight of 383.90 g/mol. Its IUPAC name is 3-chloro-5-fluoro-N-[(1R,3R)-3-[[2-(2-methylbutan-2-ylamino)-2-oxoethyl]amino]cyclopentyl]benzamide.

Molecular Properties

Compound Name3-chloro-5-fluoro-N-[(1R,3R)-3-[[2-(2-methylbutan-2-ylamino)-2-oxoethyl]amino]cyclopentyl]benzamide
PubChem CID169215317
Molecular FormulaC19H27ClFN3O2
Molecular Weight383.90 g/mol
Exact Mass383.18
IUPAC Name3-chloro-5-fluoro-N-[(1R,3R)-3-[[2-(2-methylbutan-2-ylamino)-2-oxoethyl]amino]cyclopentyl]benzamide
SMILESCCC(C)(C)NC(=O)CN[C@@H]1CC[C@@H](NC(=O)c2cc(F)cc(Cl)c2)C1
InChIInChI=1S/C19H27ClFN3O2/c1-4-19(2,3)24-17(25)11-22-15-5-6-16(10-15)23-18(26)12-7-13(20)9-14(21)8-12/h7-9,15-16,22H,4-6,10-11H2,1-3H3,(H,23,26)(H,24,25)/t15-,16-/m1/s1
InChIKeyPENWZGIWKNQRBT-HZPDHXFCSA-N
XLogP3.02
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.90
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-chloro-5-fluoro-N-[(1R,3R)-3-[[2-(2-methylbutan-2-ylamino)-2-oxoethyl]amino]cyclopentyl]benzamide with MolForge

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Related Compounds

3-chloro-N-[3-(2,2-dimethylbutylamino)cyclobutyl]-5-fluorobenzamide
CID 169215470
3-chloro-N-[(1S,3S)-3-[(2-cyclohexyl-2-fluoroethyl)amino]cyclopentyl]-5-fluorobenzamide
CID 169215348
N-[(1R,3R)-3-aminocyclopentyl]-3-chloro-5-fluorobenzamide
CID 175943327
3-chloro-5-fluoro-N-[(1S,3S)-3-[[2-(trifluoromethyl)-1,3-oxazol-4-yl]methylamino]cyclopentyl]benzamide
CID 169215562
3-chloro-N-[(1R,3R)-3-[[3-(difluoromethyl)phenyl]methylamino]cyclopentyl]-5-fluorobenzamide
CID 169215344
3-chloro-5-fluoro-N-[(1R,3S)-3-(1H-indol-2-ylmethylamino)cyclopentyl]benzamide
CID 169215528
2-(2,6-dichloro-4-fluoroanilino)-N-(2-methylbutan-2-yl)acetamide
CID 83079465
3-chloro-N-[3-[[(4S)-2,2-dimethyloxan-4-yl]methylamino]cyclobutyl]-5-fluorobenzamide
CID 169215481
3-bromo-5-chloro-N-cyclopropylbenzamide
CID 110406468
3,5-dichloro-N-[[1-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]piperidin-4-yl]methyl]benzamide
CID 170152750
3-chloro-N-ethyl-5-fluorobenzamide
CID 125115811
3,5-dichloro-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]benzamide
CID 46476936

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-fluoro-N-[(1R,3R)-3-[[2-(2-methylbutan-2-ylamino)-2-oxoethyl]amino]cyclopentyl]benzamide?
The IUPAC name of 3-chloro-5-fluoro-N-[(1R,3R)-3-[[2-(2-methylbutan-2-ylamino)-2-oxoethyl]amino]cyclopentyl]benzamide (CID 169215317) is 3-chloro-5-fluoro-N-[(1R,3R)-3-[[2-(2-methylbutan-2-ylamino)-2-oxoethyl]amino]cyclopentyl]benzamide.
What is the SMILES notation for 3-chloro-5-fluoro-N-[(1R,3R)-3-[[2-(2-methylbutan-2-ylamino)-2-oxoethyl]amino]cyclopentyl]benzamide?
The canonical SMILES for 3-chloro-5-fluoro-N-[(1R,3R)-3-[[2-(2-methylbutan-2-ylamino)-2-oxoethyl]amino]cyclopentyl]benzamide is CCC(C)(C)NC(=O)CN[C@@H]1CC[C@@H](NC(=O)c2cc(F)cc(Cl)c2)C1.
What is the InChIKey of 3-chloro-5-fluoro-N-[(1R,3R)-3-[[2-(2-methylbutan-2-ylamino)-2-oxoethyl]amino]cyclopentyl]benzamide?
The InChIKey is PENWZGIWKNQRBT-HZPDHXFCSA-N. The full InChI is InChI=1S/C19H27ClFN3O2/c1-4-19(2,3)24-17(25)11-22-15-5-6-16(10-15)23-18(26)12-7-13(20)9-14(21)8-12/h7-9,15-16,22H,4-6,10-11H2,1-3H3,(H,23,26)(H,24,25)/t15-,16-/m1/s1.
What are the key properties of 3-chloro-5-fluoro-N-[(1R,3R)-3-[[2-(2-methylbutan-2-ylamino)-2-oxoethyl]amino]cyclopentyl]benzamide?
3-chloro-5-fluoro-N-[(1R,3R)-3-[[2-(2-methylbutan-2-ylamino)-2-oxoethyl]amino]cyclopentyl]benzamide has a molecular weight of 383.90 g/mol, XLogP of 3.02, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-fluoro-N-[(1R,3R)-3-[[2-(2-methylbutan-2-ylamino)-2-oxoethyl]amino]cyclopentyl]benzamide is sourced from PubChem (CID 169215317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).