(2R)-2-chloro-N-[4-[9-[4-[[(2R)-2-chloropropanoyl]amino]phenyl]fluoren-9-yl]phenyl]propanamide

C31H26Cl2N2O2 — CID 99129240

IUPAC(2R)-2-chloro-N-[4-[9-[4-[[(2R)-2-chloropropanoyl]amino]phenyl]fluoren-9-yl]phenyl]propanamide
SMILESC[C@@H](Cl)C(=O)Nc1ccc(C2(c3ccc(NC(=O)[C@@H](C)Cl)cc3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C31H26Cl2N2O2/c1-19(32)29(36)34-23-15-11-21(12-16-23)31(22-13-17-24(18-14-22)35-30(37)20(2)33)27-9-5-3-7-25(27)26-8-4-6-10-28(26)31/h3-20H,1-2H3,(H,34,36)(H,35,37)/t19-,20-/m1/s1
InChIKeyFGCLSABFJGZVSV-WOJBJXKFSA-N
MW529.47 g/mol
LogP7.18
Rot. Bonds6

About (2R)-2-chloro-N-[4-[9-[4-[[(2R)-2-chloropropanoyl]amino]phenyl]fluoren-9-yl]phenyl]propanamide

(2R)-2-chloro-N-[4-[9-[4-[[(2R)-2-chloropropanoyl]amino]phenyl]fluoren-9-yl]phenyl]propanamide (PubChem CID 99129240) has the molecular formula C31H26Cl2N2O2 and a molecular weight of 529.47 g/mol. Its IUPAC name is (2R)-2-chloro-N-[4-[9-[4-[[(2R)-2-chloropropanoyl]amino]phenyl]fluoren-9-yl]phenyl]propanamide.

Molecular Properties

Compound Name(2R)-2-chloro-N-[4-[9-[4-[[(2R)-2-chloropropanoyl]amino]phenyl]fluoren-9-yl]phenyl]propanamide
PubChem CID99129240
Molecular FormulaC31H26Cl2N2O2
Molecular Weight529.47 g/mol
Exact Mass528.14
IUPAC Name(2R)-2-chloro-N-[4-[9-[4-[[(2R)-2-chloropropanoyl]amino]phenyl]fluoren-9-yl]phenyl]propanamide
SMILESC[C@@H](Cl)C(=O)Nc1ccc(C2(c3ccc(NC(=O)[C@@H](C)Cl)cc3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C31H26Cl2N2O2/c1-19(32)29(36)34-23-15-11-21(12-16-23)31(22-13-17-24(18-14-22)35-30(37)20(2)33)27-9-5-3-7-25(27)26-8-4-6-10-28(26)31/h3-20H,1-2H3,(H,34,36)(H,35,37)/t19-,20-/m1/s1
InChIKeyFGCLSABFJGZVSV-WOJBJXKFSA-N
XLogP7.18
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.47
LogP ≤ 57.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-(3-methylphenoxy)-N-[4-[9-[4-[[(2S)-2-(3-methylphenoxy)propanoyl]amino]phenyl]fluoren-9-yl]phenyl]propanamide
CID 99650429
N-[4-[9-[4-(carbamoylamino)phenyl]fluoren-9-yl]phenyl]acetamide
CID 123893670
N-[4-[4-[9-[4-(4-acetamidophenoxy)phenyl]fluoren-9-yl]phenoxy]phenyl]acetamide
CID 158305023
N-[4-(2-chloropropanoylamino)phenyl]-2-methylpropanamide
CID 43346560
4-tert-butyl-N-[4-[9-[4-[(4-tert-butylbenzoyl)amino]phenyl]fluoren-9-yl]phenyl]benzamide
CID 3404404
1-(3-chlorophenyl)-3-[4-[9-[4-[(3-chlorophenyl)carbamoylamino]phenyl]fluoren-9-yl]phenyl]urea
CID 4922946
2-chloro-N-(4-fluorophenyl)propanamide
CID 532266
2-(4-methoxyphenyl)-N-[4-[9-[4-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]fluoren-9-yl]phenyl]acetamide
CID 5144986
methyl N-[4-(2-chloropropanoylamino)phenyl]carbamate
CID 43701229
4-[[(2S)-2-chloropropanoyl]amino]benzamide
CID 2118148
N-[4-(4-aminophenyl)phenyl]-2-chloropropanamide
CID 18877630
3-(2-phenoxyethoxy)-N-[4-[9-[4-[[3-(2-phenoxyethoxy)benzoyl]amino]phenyl]fluoren-9-yl]phenyl]benzamide
CID 4955553

Frequently Asked Questions

What is the IUPAC name of (2R)-2-chloro-N-[4-[9-[4-[[(2R)-2-chloropropanoyl]amino]phenyl]fluoren-9-yl]phenyl]propanamide?
The IUPAC name of (2R)-2-chloro-N-[4-[9-[4-[[(2R)-2-chloropropanoyl]amino]phenyl]fluoren-9-yl]phenyl]propanamide (CID 99129240) is (2R)-2-chloro-N-[4-[9-[4-[[(2R)-2-chloropropanoyl]amino]phenyl]fluoren-9-yl]phenyl]propanamide.
What is the SMILES notation for (2R)-2-chloro-N-[4-[9-[4-[[(2R)-2-chloropropanoyl]amino]phenyl]fluoren-9-yl]phenyl]propanamide?
The canonical SMILES for (2R)-2-chloro-N-[4-[9-[4-[[(2R)-2-chloropropanoyl]amino]phenyl]fluoren-9-yl]phenyl]propanamide is C[C@@H](Cl)C(=O)Nc1ccc(C2(c3ccc(NC(=O)[C@@H](C)Cl)cc3)c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of (2R)-2-chloro-N-[4-[9-[4-[[(2R)-2-chloropropanoyl]amino]phenyl]fluoren-9-yl]phenyl]propanamide?
The InChIKey is FGCLSABFJGZVSV-WOJBJXKFSA-N. The full InChI is InChI=1S/C31H26Cl2N2O2/c1-19(32)29(36)34-23-15-11-21(12-16-23)31(22-13-17-24(18-14-22)35-30(37)20(2)33)27-9-5-3-7-25(27)26-8-4-6-10-28(26)31/h3-20H,1-2H3,(H,34,36)(H,35,37)/t19-,20-/m1/s1.
What are the key properties of (2R)-2-chloro-N-[4-[9-[4-[[(2R)-2-chloropropanoyl]amino]phenyl]fluoren-9-yl]phenyl]propanamide?
(2R)-2-chloro-N-[4-[9-[4-[[(2R)-2-chloropropanoyl]amino]phenyl]fluoren-9-yl]phenyl]propanamide has a molecular weight of 529.47 g/mol, XLogP of 7.18, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-chloro-N-[4-[9-[4-[[(2R)-2-chloropropanoyl]amino]phenyl]fluoren-9-yl]phenyl]propanamide is sourced from PubChem (CID 99129240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).