4-chloro-N-[(2R)-4-methyl-1-oxo-1-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]pentan-2-yl]benzamide

C18H26ClN3O3 — CID 9300609

IUPAC4-chloro-N-[(2R)-4-methyl-1-oxo-1-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]pentan-2-yl]benzamide
SMILESCC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCC(=O)NC(C)C
InChIInChI=1S/C18H26ClN3O3/c1-11(2)9-15(18(25)20-10-16(23)21-12(3)4)22-17(24)13-5-7-14(19)8-6-13/h5-8,11-12,15H,9-10H2,1-4H3,(H,20,25)(H,21,23)(H,22,24)/t15-/m1/s1
InChIKeyBTCRUZCHIBLEIK-OAHLLOKOSA-N
MW367.88 g/mol
LogP2.13
Rot. Bonds8

About 4-chloro-N-[(2R)-4-methyl-1-oxo-1-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]pentan-2-yl]benzamide

4-chloro-N-[(2R)-4-methyl-1-oxo-1-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]pentan-2-yl]benzamide (PubChem CID 9300609) has the molecular formula C18H26ClN3O3 and a molecular weight of 367.88 g/mol. Its IUPAC name is 4-chloro-N-[(2R)-4-methyl-1-oxo-1-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]pentan-2-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[(2R)-4-methyl-1-oxo-1-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]pentan-2-yl]benzamide
PubChem CID9300609
Molecular FormulaC18H26ClN3O3
Molecular Weight367.88 g/mol
Exact Mass367.17
IUPAC Name4-chloro-N-[(2R)-4-methyl-1-oxo-1-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]pentan-2-yl]benzamide
SMILESCC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCC(=O)NC(C)C
InChIInChI=1S/C18H26ClN3O3/c1-11(2)9-15(18(25)20-10-16(23)21-12(3)4)22-17(24)13-5-7-14(19)8-6-13/h5-8,11-12,15H,9-10H2,1-4H3,(H,20,25)(H,21,23)(H,22,24)/t15-/m1/s1
InChIKeyBTCRUZCHIBLEIK-OAHLLOKOSA-N
XLogP2.13
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.88
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[(2R)-1-(3-methoxypropylamino)-4-methyl-1-oxopentan-2-yl]benzamide
CID 35513680
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CID 55575717
4-chloro-N-[4-methyl-1-[(4-methylphenyl)methylamino]-1-oxopentan-2-yl]benzamide
CID 51064823
4-chloro-N-[4-methyl-1-oxo-1-(2-phenylethylamino)pentan-2-yl]benzamide
CID 55334565
4-chloro-N-[(2S)-1-[(2-fluorophenyl)methylamino]-4-methyl-1-oxopentan-2-yl]benzamide
CID 8871221
4-chloro-N-[4-methyl-1-oxo-1-(pyrrolidin-2-ylmethylamino)pentan-2-yl]benzamide
CID 119513660
N-[(2R)-1-anilino-4-methyl-1-oxopentan-2-yl]-4-chlorobenzamide
CID 40701331
4-chloro-N-propan-2-ylbenzamide
CID 24045
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] (2R)-2-[(4-chlorobenzoyl)amino]-4-methylpentanoate
CID 7648812
1-N,4-N-bis[(2S)-4-methyl-1-oxo-1-(prop-2-ynylamino)pentan-2-yl]benzene-1,4-dicarboxamide
CID 132534144
4-chloro-N-[(2R)-1-(2-ethylanilino)-4-methyl-1-oxopentan-2-yl]benzamide
CID 8839518
4-chloro-N-[4-methyl-1-oxo-1-(2-pyridin-3-ylethylamino)pentan-2-yl]benzamide
CID 55554912

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(2R)-4-methyl-1-oxo-1-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]pentan-2-yl]benzamide?
The IUPAC name of 4-chloro-N-[(2R)-4-methyl-1-oxo-1-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]pentan-2-yl]benzamide (CID 9300609) is 4-chloro-N-[(2R)-4-methyl-1-oxo-1-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]pentan-2-yl]benzamide.
What is the SMILES notation for 4-chloro-N-[(2R)-4-methyl-1-oxo-1-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]pentan-2-yl]benzamide?
The canonical SMILES for 4-chloro-N-[(2R)-4-methyl-1-oxo-1-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]pentan-2-yl]benzamide is CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCC(=O)NC(C)C.
What is the InChIKey of 4-chloro-N-[(2R)-4-methyl-1-oxo-1-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]pentan-2-yl]benzamide?
The InChIKey is BTCRUZCHIBLEIK-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H26ClN3O3/c1-11(2)9-15(18(25)20-10-16(23)21-12(3)4)22-17(24)13-5-7-14(19)8-6-13/h5-8,11-12,15H,9-10H2,1-4H3,(H,20,25)(H,21,23)(H,22,24)/t15-/m1/s1.
What are the key properties of 4-chloro-N-[(2R)-4-methyl-1-oxo-1-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]pentan-2-yl]benzamide?
4-chloro-N-[(2R)-4-methyl-1-oxo-1-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]pentan-2-yl]benzamide has a molecular weight of 367.88 g/mol, XLogP of 2.13, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(2R)-4-methyl-1-oxo-1-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]pentan-2-yl]benzamide is sourced from PubChem (CID 9300609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).