7-[(1R,2R,3R,5S)-2-[4-(3-chloroanilino)-3-oxobutyl]-3,5-dihydroxycyclopentyl]-N-hydroxyheptanamide

C22H33ClN2O5 — CID 90834609

IUPAC7-[(1R,2R,3R,5S)-2-[4-(3-chloroanilino)-3-oxobutyl]-3,5-dihydroxycyclopentyl]-N-hydroxyheptanamide
SMILESO=C(CC[C@@H]1[C@@H](CCCCCCC(=O)NO)[C@@H](O)C[C@H]1O)CNc1cccc(Cl)c1
InChIInChI=1S/C22H33ClN2O5/c23-15-6-5-7-16(12-15)24-14-17(26)10-11-19-18(20(27)13-21(19)28)8-3-1-2-4-9-22(29)25-30/h5-7,12,18-21,24,27-28,30H,1-4,8-11,13-14H2,(H,25,29)/t18-,19-,20+,21-/m1/s1
InChIKeySUBIUKAXCLBXBT-MXEMCNAFSA-N
MW440.97 g/mol
LogP3.31
Rot. Bonds13

About 7-[(1R,2R,3R,5S)-2-[4-(3-chloroanilino)-3-oxobutyl]-3,5-dihydroxycyclopentyl]-N-hydroxyheptanamide

7-[(1R,2R,3R,5S)-2-[4-(3-chloroanilino)-3-oxobutyl]-3,5-dihydroxycyclopentyl]-N-hydroxyheptanamide (PubChem CID 90834609) has the molecular formula C22H33ClN2O5 and a molecular weight of 440.97 g/mol. Its IUPAC name is 7-[(1R,2R,3R,5S)-2-[4-(3-chloroanilino)-3-oxobutyl]-3,5-dihydroxycyclopentyl]-N-hydroxyheptanamide.

Molecular Properties

Compound Name7-[(1R,2R,3R,5S)-2-[4-(3-chloroanilino)-3-oxobutyl]-3,5-dihydroxycyclopentyl]-N-hydroxyheptanamide
PubChem CID90834609
Molecular FormulaC22H33ClN2O5
Molecular Weight440.97 g/mol
Exact Mass440.21
IUPAC Name7-[(1R,2R,3R,5S)-2-[4-(3-chloroanilino)-3-oxobutyl]-3,5-dihydroxycyclopentyl]-N-hydroxyheptanamide
SMILESO=C(CC[C@@H]1[C@@H](CCCCCCC(=O)NO)[C@@H](O)C[C@H]1O)CNc1cccc(Cl)c1
InChIInChI=1S/C22H33ClN2O5/c23-15-6-5-7-16(12-15)24-14-17(26)10-11-19-18(20(27)13-21(19)28)8-3-1-2-4-9-22(29)25-30/h5-7,12,18-21,24,27-28,30H,1-4,8-11,13-14H2,(H,25,29)/t18-,19-,20+,21-/m1/s1
InChIKeySUBIUKAXCLBXBT-MXEMCNAFSA-N
XLogP3.31
TPSA118.89 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.97
LogP ≤ 53.31
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(3-chloroanilino)propan-2-one
CID 21364413
7-[(1R,2R,3R,5S)-2-[5-(2-fluorophenyl)-3-hydroxypent-4-enyl]-3,5-dihydroxycyclopentyl]-N-hydroxyheptanamide
CID 91310930
7-[(1R,2R,3R,5S)-2-[(3R)-4-(3-chlorophenoxy)-3-hydroxybutyl]-3,5-dihydroxycyclopentyl]-N-(cyclopropylmethyl)heptanamide
CID 58090963
N,N'-bis(3-chlorophenyl)pentanediamide
CID 1011389
2-(3-chloroanilino)-N-(3,5-dichlorophenyl)acetamide
CID 54809235
7-[(1S,2R)-2-[4-(3-chlorophenyl)imino-3-hydroxybutyl]cyclopentyl]-N-hydroxyheptanamide
CID 142015642
1-(aziridin-1-yl)-2-(3-chloroanilino)ethanone
CID 131042783
2-(3-chloroanilino)-N,N-diethylacetamide
CID 28580548
4-(3-chloroanilino)butanamide
CID 67066977
N-(4-chloro-2-hydroxyphenyl)-N'-hydroxyoctanediamide
CID 85469449
2-(3-chloroanilino)-N-[(2-hydroxyphenyl)methylideneamino]acetamide
CID 5143452
1-(3-chlorophenyl)-3-(heptanoylamino)urea
CID 5162671

Frequently Asked Questions

What is the IUPAC name of 7-[(1R,2R,3R,5S)-2-[4-(3-chloroanilino)-3-oxobutyl]-3,5-dihydroxycyclopentyl]-N-hydroxyheptanamide?
The IUPAC name of 7-[(1R,2R,3R,5S)-2-[4-(3-chloroanilino)-3-oxobutyl]-3,5-dihydroxycyclopentyl]-N-hydroxyheptanamide (CID 90834609) is 7-[(1R,2R,3R,5S)-2-[4-(3-chloroanilino)-3-oxobutyl]-3,5-dihydroxycyclopentyl]-N-hydroxyheptanamide.
What is the SMILES notation for 7-[(1R,2R,3R,5S)-2-[4-(3-chloroanilino)-3-oxobutyl]-3,5-dihydroxycyclopentyl]-N-hydroxyheptanamide?
The canonical SMILES for 7-[(1R,2R,3R,5S)-2-[4-(3-chloroanilino)-3-oxobutyl]-3,5-dihydroxycyclopentyl]-N-hydroxyheptanamide is O=C(CC[C@@H]1[C@@H](CCCCCCC(=O)NO)[C@@H](O)C[C@H]1O)CNc1cccc(Cl)c1.
What is the InChIKey of 7-[(1R,2R,3R,5S)-2-[4-(3-chloroanilino)-3-oxobutyl]-3,5-dihydroxycyclopentyl]-N-hydroxyheptanamide?
The InChIKey is SUBIUKAXCLBXBT-MXEMCNAFSA-N. The full InChI is InChI=1S/C22H33ClN2O5/c23-15-6-5-7-16(12-15)24-14-17(26)10-11-19-18(20(27)13-21(19)28)8-3-1-2-4-9-22(29)25-30/h5-7,12,18-21,24,27-28,30H,1-4,8-11,13-14H2,(H,25,29)/t18-,19-,20+,21-/m1/s1.
What are the key properties of 7-[(1R,2R,3R,5S)-2-[4-(3-chloroanilino)-3-oxobutyl]-3,5-dihydroxycyclopentyl]-N-hydroxyheptanamide?
7-[(1R,2R,3R,5S)-2-[4-(3-chloroanilino)-3-oxobutyl]-3,5-dihydroxycyclopentyl]-N-hydroxyheptanamide has a molecular weight of 440.97 g/mol, XLogP of 3.31, 13 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(1R,2R,3R,5S)-2-[4-(3-chloroanilino)-3-oxobutyl]-3,5-dihydroxycyclopentyl]-N-hydroxyheptanamide is sourced from PubChem (CID 90834609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).